| CAS |
KeioID |
MassBank ID |
Name
|
| 56-12-2
|
A002-
|
KOX00001n
|
GABA
|
| 56-12-2
|
A002+
|
KOX00002p
|
GABA
|
| 58-61-7
|
A007-
|
KOX00003n
|
Adenosine
|
| 58-61-7
|
A007+
|
KOX00004p
|
Adenosine
|
| 118-92-3
|
A010-
|
KOX00005n
|
Anthranilate
|
| 118-92-3
|
A010+
|
KOX00006p
|
Anthranilate
|
| 338-69-2
|
A011-
|
KOX00007n
|
D-Ala
|
| 338-69-2
|
A011+
|
KOX00008p
|
D-Ala
|
| 70-47-3
|
A016-
|
KOX00011n
|
Asn
|
| 70-47-3
|
A016+
|
KOX00012p
|
Asn
|
| 56-84-8
|
A017-
|
KOX00013n
|
Asp
|
| 56-84-8
|
A017+
|
KOX00014p
|
Asp
|
| 131-48-6
|
A018-
|
KOX00015n
|
N-Acetylneuraminate
|
| 131-48-6
|
A018+
|
KOX00016p
|
N-Acetylneuraminate
|
| 107-95-9
|
A021-
|
KOX00017n
|
b-Ala
|
| 107-95-9
|
A021+
|
KOX00018p
|
b-Ala
|
| 64-19-7
|
A029-
|
KOX00019n
|
Acetate
|
| 585-84-2
|
A030-
|
KOX00020n
|
cis-Aconitate
|
| 1188-37-0
|
A031-
|
KOX00021n
|
N-Acetylglutamate
|
| 1188-37-0
|
A031+
|
KOX00022p
|
N-Acetylglutamate
|
|
|
A032-
|
KOX00023n
|
N-Acetylornithine
|
|
|
A032+
|
KOX00024p
|
N-Acetylornithine
|
| 19046-78-7
|
A037-
|
KOX00025n
|
Adenylosuccinate
|
| 19046-78-7
|
A037+
|
KOX00027p
|
Adenylosuccinate
|
|
|
A039-
|
KOX00028n
|
Argininosuccinate
|
|
|
A039+
|
KOX00029p
|
Argininosuccinate
|
| 934-32-7
|
A042-
|
KOX00031n
|
2-Aminobenzimidazole
|
| 934-32-7
|
A042+
|
KOX00032p
|
2-Aminobenzimidazole
|
| 150-13-0
|
A043-
|
KOX00033n
|
p-Aminobenzoate
|
| 150-13-0
|
A043+
|
KOX00034p
|
p-Aminobenzoate
|
| 61-82-5
|
A045-
|
KOX00035n
|
3-Amino-1,2,4-triazole
|
| 61-82-5
|
A045+
|
KOX00036p
|
3-Amino-1,2,4-triazole
|
| 22059-21-8
|
A047-
|
KOX00037n
|
1-Aminocyclopropane-1-carboxylate
|
| 62-57-7
|
A048-
|
KOX00038n
|
a-Aminoisobutyrate
|
| 62-57-7
|
A048+
|
KOX00039p
|
a-Aminoisobutyrate
|
| 52-52-8
|
A050-
|
KOX00040n
|
1-Amino-1-cyclopentanecarboxylate
|
| 52-52-8
|
A050+
|
KOX00041p
|
1-Amino-1-cyclopentanecarboxylate
|
| 60-32-2
|
A053-
|
KOX00042n
|
6-Aminohexanoate
|
| 60-32-2
|
A053+
|
KOX00043p
|
6-Aminohexanoate
|
|
|
A056-
|
KOX00044n
|
2-Aminoethylphosphonate
|
|
|
A056+
|
KOX00045p
|
2-Aminoethylphosphonate
|
| 6323-97-3
|
A057-
|
KOX00046n
|
1-Aminoethylphosphonate
|
| 638-23-3
|
A059-
|
KOX00047n
|
S-Carboxymethylcysteine
|
| 638-23-3
|
A059+
|
KOX00048p
|
S-Carboxymethylcysteine
|
| 123-99-9
|
A063-
|
KOX00049n
|
Azelaate
|
| 65-82-7
|
A065-
|
KOX00050n
|
N-Acetylmethionine
|
| 65-82-7
|
A065+
|
KOX00051p
|
N-Acetylmethionine
|
| 2018-61-3
|
A067-
|
KOX00052n
|
N-Acetylphenylalanine
|
| 2018-61-3
|
A067+
|
KOX00053p
|
N-Acetylphenylalanine
|
| 59277-89-3
|
A071+
|
KOX00054p
|
Acyclovir
|
| 2497-02-1
|
A073-
|
KOX00055n
|
N-Acetylhistidine
|
| 2497-02-1
|
A073+
|
KOX00056p
|
N-Acetylhistidine
|
| 124-04-9
|
A076-
|
KOX00057n
|
Adipate
|
| 2623-91-8
|
A087-
|
KOX00058n
|
D-2-Aminobutyrate
|
| 2623-91-8
|
A087+
|
KOX00059p
|
D-2-Aminobutyrate
|
| 3128-06-1
|
A092-
|
KOX00060n
|
4-Acetylbutyrate
|
|
|
A093-
|
KOX00061n
|
Nw-Acetylhistamine
|
|
|
A093+
|
KOX00062p
|
Nw-Acetylhistamine
|
| 542-32-5
|
A110-
|
KOX00063n
|
a-Aminoadipate
|
| 542-32-5
|
A110+
|
KOX00064p
|
a-Aminoadipate
|
| 4023-65-8
|
A117-
|
KOX00065n
|
trans-Aconitate
|
|
|
A122-
|
KOX00066n
|
N-Acetylglucosamine 1-phosphate
|
|
|
A122+
|
KOX00067p
|
N-Acetylglucosamine 1-phosphate
|
|
|
A127-
|
KOX00068n
|
b-Ala-Lys
|
|
|
A127+
|
KOX00069p
|
b-Ala-Lys
|
| 142-45-0
|
A128-
|
KOX00070n
|
Acetylendicarboxylate
|
| 65-49-6
|
A129-
|
KOX00071n
|
4-Aminosalicylate
|
| 103-84-4
|
A130-
|
KOX00072n
|
Acetanilide
|
| 103-84-4
|
A130+
|
KOX00073p
|
Acetanilide
|
|
|
A131-
|
KOX00074n
|
2-Amino-3-phosphonopropionate
|
|
|
A131+
|
KOX00075p
|
2-Amino-3-phosphonopropionate
|
| 3031-94-5
|
A133-
|
KOX00076n
|
5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate
|
| 3031-94-5
|
A133+
|
KOX00077p
|
5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate
|
| 660-88-8
|
A135+
|
KOX00079p
|
5-Aminopentanoate
|
|
|
A136-
|
KOX00080n
|
5-Amino-4-imidazolecarboxamide
|
|
|
A136+
|
KOX00081p
|
5-Amino-4-imidazolecarboxamide
|
| 3025-95-4
|
A138-
|
KOX00082n
|
N-Acetyl-b-alanine
|
| 3025-95-4
|
A138+
|
KOX00083p
|
N-Acetyl-b-alanine
|
| 99-16-1
|
A139-
|
KOX00084n
|
Allantoate
|
| 584-85-0
|
A140-
|
KOX00085n
|
Anserine
|
| 584-85-0
|
A140+
|
KOX00086p
|
Anserine
|
| 997-55-7
|
A142-
|
KOX00087n
|
N-Acetylaspartate
|
|
|
A144-
|
KOX00088n
|
N-Acetylglucosamine 6-phosphate
|
| 1188-21-2
|
A145-
|
KOX00089n
|
N-Acetylleucine
|
| 1188-21-2
|
A145+
|
KOX00090p
|
N-Acetylleucine
|
| 13137-52-5
|
A147-
|
KOX00091n
|
Arabinose 5-phosphate
|
| 100-09-4
|
A154-
|
KOX00092n
|
p-Anisate
|
| 5977-14-0
|
A165-
|
KOX00093n
|
Acetoacetamide
|
| 692-04-6
|
A174-
|
KOX00094n
|
Ne-Acetyllysine
|
| 692-04-6
|
A174+
|
KOX00095p
|
Ne-Acetyllysine
|
|
|
A176-
|
KOX00096n
|
3-Amino-3-(4-hydroxyphenyl)propionate
|
| 82-76-8
|
A177-
|
KOX00097n
|
8-Anilino-1-naphthalene sulfonate
|
| 157296-99-6
|
A184-
|
KOX00098n
|
N-Acetylgalactosamine 6-sulfate
|
|
|
A189-
|
KOX00099n
|
2-Amino-2-methylbutanoate
|
|
|
A189+
|
KOX00100p
|
2-Amino-2-methylbutanoate
|
| 61633-75-8
|
A191-
|
KOX00101n
|
N-Acetylmuramate
|
| 61633-75-8
|
A191+
|
KOX00102p
|
N-Acetylmuramate
|
| 2163-68-0
|
A196-
|
KOX00103n
|
Hydroxyatrazine
|
| 2163-68-0
|
A196+
|
KOX00104p
|
Hydroxyatrazine
|
| 2133-34-8
|
A219-
|
KOX00105n
|
Azetidine-2-carboxylate
|
| 80-08-0
|
A220-
|
KOX00106n
|
4-Aminophenylsulfone
|
| 80-08-0
|
A220+
|
KOX00107p
|
4-Aminophenylsulfone
|
| 1066-51-9
|
A235-
|
KOX00108n
|
(Aminomethyl)phosphonate
|
| 1066-51-9
|
A235+
|
KOX00109p
|
(Aminomethyl)phosphonate
|
|
|
A237-
|
KOX00110n
|
Aminophylline
|
|
|
A237+
|
KOX00111p
|
Aminophylline
|
| 65-85-0
|
B002-
|
KOX00114n
|
Benzoate
|
| 884-33-3
|
B005-
|
KOX00115n
|
Benzyl succinate
|
| 107-92-6
|
B006-
|
KOX00116n
|
Butanoate
|
| 51-17-2
|
B007-
|
KOX00117n
|
Benzimidazole
|
| 51-17-2
|
B007+
|
KOX00118p
|
Benzimidazole
|
| 1214-39-7
|
B015-
|
KOX00119n
|
6-Benzylaminopurine
|
| 1214-39-7
|
B015+
|
KOX00120p
|
6-Benzylaminopurine
|
| 58970-76-6
|
B018-
|
KOX00121n
|
Bestatin
|
| 58970-76-6
|
B018+
|
KOX00122p
|
Bestatin
|
| 2079-00-7
|
B019-
|
KOX00123n
|
Blasticidin S
|
| 2079-00-7
|
B019+
|
KOX00124p
|
Blasticidin S
|
| 58-85-5
|
B020-
|
KOX00125n
|
Biotin
|
| 58-85-5
|
B020+
|
KOX00126p
|
Biotin
|
| 7536-55-2
|
B023-
|
KOX00127n
|
N-a-t-Boc-asparagine
|
| 611-73-4
|
B041-
|
KOX00128n
|
Benzoylformate
|
| 25057-89-0
|
B072-
|
KOX00130n
|
Bentazon
|
| 25057-89-0
|
B072+
|
KOX00131p
|
Bentazon
|
|
|
B093-
|
KOX00132n
|
Bumetanide
|
|
|
B093+
|
KOX00133p
|
Bumetanide
|
| 77-92-9
|
C005-
|
KOX00134n
|
Citrate
|
| 305-84-0
|
C012-
|
KOX00135n
|
Carnosine
|
| 305-84-0
|
C012+
|
KOX00136p
|
Carnosine
|
| 372-75-8
|
C013-
|
KOX00137n
|
Citrulline
|
| 372-75-8
|
C013+
|
KOX00138p
|
Citrulline
|
| 1115-65-7
|
C015-
|
KOX00139n
|
Cysteine sulfinate
|
| 1115-65-7
|
C015+
|
KOX00140p
|
Cysteine sulfinate
|
| 140-10-3
|
C016-
|
KOX00141n
|
trans-Cinnamate
|
| 7400-08-0 501-98-4
|
C024-
|
KOX00142n
|
p-Coumarate
|
| 13184-27-5
|
C025-
|
KOX00143n
|
Carbamoylaspartate
|
| 71-30-7
|
C033-
|
KOX00144n
|
Cytosine
|
| 71-30-7
|
C033+
|
KOX00145p
|
Cytosine
|
| 60-27-5
|
C034-
|
KOX00146n
|
Creatinine
|
| 60-27-5
|
C034+
|
KOX00147p
|
Creatinine
|
| 142-62-1
|
C035-
|
KOX00148n
|
Hexanoate
|
| 498-23-7
|
C036-
|
KOX00149n
|
Citraconate
|
| 124-07-2
|
C037-
|
KOX00150n
|
Octanoate
|
| 119-67-5
|
C038-
|
KOX00151n
|
2-Carboxybenzaldehyde
|
| 614-60-8
|
C039-
|
KOX00152n
|
o-Coumarate
|
| 86-74-8
|
C040-
|
KOX00153n
|
Carbazole
|
| 86-74-8
|
C040+
|
KOX00154p
|
Carbazole
|
| 95-25-0
|
C042-
|
KOX00155n
|
Chlorzoxazone
|
| 56-75-7
|
C057-
|
KOX00156n
|
Chloramphenicol
|
| 56-75-7
|
C057+
|
KOX00157p
|
Chloramphenicol
|
| 81-25-4
|
C061-
|
KOX00158n
|
Cholate
|
| 327-97-9
|
C063-
|
KOX00159n
|
Chlorogenate
|
| 327-97-9
|
C063+
|
KOX00160p
|
Chlorogenate
|
| 154-87-0
|
C077+
|
KOX00162p
|
Cocarboxylase
|
|
|
C078-
|
KOX00163n
|
N-Carbamylglutamate
|
| 118-91-2
|
C088-
|
KOX00164n
|
2-Chlorobenzoate
|
| 3724-65-0
|
C093-
|
KOX00165n
|
Crotonate
|
| 543-38-4
|
C094-
|
KOX00166n
|
Canavanine
|
| 543-38-4
|
C094+
|
KOX00167p
|
Canavanine
|
|
|
C101-
|
KOX00169n
|
Citramalate
|
| 74-11-3
|
C104-
|
KOX00170n
|
4-Chlorobenzoate
|
| 331-39-5
|
C107-
|
KOX00171n
|
Caffeate
|
| 147-94-4
|
C119-
|
KOX00173n
|
Cytosine arabinoside
|
| 147-94-4
|
C119+
|
KOX00174p
|
Cytosine arabinoside
|
| 1637-71-4
|
C127-
|
KOX00175n
|
Cysteine S-sulfate
|
| 1637-71-4
|
C127+
|
KOX00176p
|
Cysteine S-sulfate
|
| 122-88-3
|
C151-
|
KOX00177n
|
p-Chlorophenoxyacetate
|
| 536-66-3
|
C157-
|
KOX00178n
|
Cumate
|
| 98-89-5
|
C180-
|
KOX00179n
|
Cyclohexanecarboxylate
|
|
|
C208-
|
KOX00180n
|
Cimetidine
|
|
|
C208+
|
KOX00181p
|
Cimetidine
|
|
|
D013-
|
KOX00182n
|
2-Deoxyribose 1-phosphate
|
|
|
D014-
|
KOX00183n
|
Dihydroxyacetone phosphate
|
|
|
D017-
|
KOX00184n
|
2,3-Diphosphoglycerate
|
|
|
D017+
|
KOX00185p
|
2,3-Diphosphoglycerate
|
|
|
D026-
|
KOX00186n
|
2-Deoxyribose 5'-phosphate
|
| 79-43-6
|
D034-
|
KOX00187n
|
Dichloroacetate
|
| 51-61-6
|
D046-
|
KOX00188n
|
Dopamine
|
| 51-61-6
|
D046+
|
KOX00189p
|
Dopamine
|
| 1078-61-1
|
D047-
|
KOX00190n
|
Dihydrocafeate
|
| 99-30-9
|
D048-
|
KOX00191n
|
2,6-Dichloro-4-nitroaniline
|
| 693-23-2
|
D049-
|
KOX00192n
|
Dodecanedioate
|
| 609-99-4
|
D050-
|
KOX00193n
|
3,5-Dinitrosalicylate
|
| 364-98-7
|
D051-
|
KOX00194n
|
Diazoxide
|
| 364-98-7
|
D051+
|
KOX00195p
|
Diazoxide
|
| 951-77-9
|
D055-
|
KOX00196n
|
2'-Deoxycytidine
|
| 951-77-9
|
D055+
|
KOX00197p
|
2'-Deoxycytidine
|
| 300-39-0 66-02-4
|
D056-
|
KOX00198n
|
3,5-Diiodo-tyrosine
|
| 300-39-0 66-02-4
|
D056+
|
KOX00199p
|
3,5-Diiodo-tyrosine
|
| 961-07-9
|
D057-
|
KOX00200n
|
2'-Deoxyguanosine
|
| 961-07-9
|
D057+
|
KOX00201p
|
2'-Deoxyguanosine
|
| 22494-42-4
|
D058-
|
KOX00202n
|
Diflunisal
|
| 23214-92-8
|
D064-
|
KOX00204n
|
Doxorubicin
|
| 23214-92-8
|
D064+
|
KOX00205p
|
Doxorubicin
|
| 775-01-9
|
D066-
|
KOX00206n
|
3,4-Dihydroxymandelate
|
| 51-28-5
|
D097-
|
KOX00207n
|
2,4-Dinitrophenol
|
| 5894-59-7
|
D100-
|
KOX00208n
|
Digalacturonate
|
|
|
D101-
|
KOX00209n
|
2-Deoxyglucose 6-phosphate
|
| 5871-17-0
|
D113-
|
KOX00210n
|
O, O-Diethyl thiophosphate
|
| 5871-17-0
|
D113+
|
KOX00211p
|
O, O-Diethyl thiophosphate
|
| 15307-86-5
|
D128-
|
KOX00212n
|
Diclofenac
|
| 15307-86-5
|
D128+
|
KOX00213p
|
Diclofenac
|
|
|
D131-
|
KOX00214n
|
Na,Na-Dimethylhistidine
|
|
|
D131+
|
KOX00215p
|
Na,Na-Dimethylhistidine
|
| 50-84-0
|
D135-
|
KOX00216n
|
2,4-Dichlorobenzoate
|
| 598-02-7
|
D141-
|
KOX00217n
|
Diethyl phsophate
|
| 598-02-7
|
D141+
|
KOX00218p
|
Diethyl phsophate
|
| 140-22-7
|
D166-
|
KOX00220n
|
1,5-Diphenylcarbohydrazide
|
| 140-22-7
|
D166+
|
KOX00221p
|
1,5-Diphenylcarbohydrazide
|
| 1596-84-5
|
D173-
|
KOX00222n
|
Daminozide
|
| 1596-84-5
|
D173+
|
KOX00223p
|
Daminozide
|
|
|
E005-
|
KOX00224n
|
N-Ethylglutamine
|
|
|
E005+
|
KOX00225p
|
N-Ethylglutamine
|
| 1071-23-4
|
E009-
|
KOX00226n
|
Ethanolamine phosphate
|
| 2809-21-4
|
E010-
|
KOX00227n
|
Etidronate
|
|
|
E011-
|
KOX00228n
|
Ectoine
|
|
|
E011+
|
KOX00229p
|
Ectoine
|
| 536-33-4
|
E012-
|
KOX00230n
|
Ethionamide
|
| 536-33-4
|
E012+
|
KOX00231p
|
Ethionamide
|
| 66701-25-5
|
E015-
|
KOX00232n
|
E-64
|
| 66701-25-5
|
E015+
|
KOX00233p
|
E-64
|
| 621-51-2
|
E026-
|
KOX00234n
|
3-Ethoxybenzoate
|
| 51-43-4
|
E033-
|
KOX00235n
|
Epinephrine
|
| 51-43-4
|
E033+
|
KOX00236p
|
Epinephrine
|
|
|
E034-
|
KOX00237n
|
Etodolac
|
|
|
E034+
|
KOX00238p
|
Etodolac
|
| 643-13-0
|
F001-
|
KOX00239n
|
Fructose 6-phosphate
|
| 488-69-7
|
F008-
|
KOX00240n
|
Fructose 1,6-diphosphate
|
| 488-69-7
|
F008+
|
KOX00241p
|
Fructose 1,6-diphosphate
|
| 15978-08-2
|
F009-
|
KOX00242n
|
Fructose 1-phosphate
|
|
|
F010-
|
KOX00243n
|
Fructose 2,6-diphosphate
|
| 525-79-1
|
F014-
|
KOX00244n
|
6-Furfurylaminopurine
|
| 525-79-1
|
F014+
|
KOX00245p
|
6-Furfurylaminopurine
|
| 88-14-2
|
F020-
|
KOX00246n
|
2-Furoate
|
| 19427-28-2
|
F022-
|
KOX00247n
|
N-Formylaspartate
|
| 456-22-4
|
F023-
|
KOX00248n
|
4-Fluorobenzoate
|
| 445-29-4
|
F024-
|
KOX00249n
|
o-Fluorobenzoate
|
|
|
F025-
|
KOX00250n
|
Formiminoaspartate
|
|
|
F025+
|
KOX00251p
|
Formiminoaspartate
|
| 455-38-9
|
F032-
|
KOX00252n
|
3-Fluorobenzoate
|
|
|
F034-
|
KOX00253n
|
N-Formylmethionine
|
|
|
F034+
|
KOX00254p
|
N-Formylmethionine
|
| 50-99-7
|
G002-
|
KOX00255n
|
Glucose
|
| 56-73-5
|
G003+
|
KOX00256p
|
Glucose 6-phosphate
|
| 6556-12-3
|
G004-
|
KOX00257n
|
Glucuronate
|
| 6893-26-1
|
G005-
|
KOX00258n
|
D-Glu
|
| 6893-26-1
|
G005+
|
KOX00259p
|
D-Glu
|
| 70-18-8
|
G009-
|
KOX00260n
|
Glutathione
|
| 56-40-6
|
G011-
|
KOX00261n
|
Gly
|
| 56-40-6
|
G011+
|
KOX00262p
|
Gly
|
| 79-14-1
|
G012-
|
KOX00263n
|
Glycolate
|
| 298-12-4
|
G013-
|
KOX00264n
|
Glyoxylate
|
| 118-00-3
|
G015-
|
KOX00265n
|
Guanosine
|
| 118-00-3
|
G015+
|
KOX00266p
|
Guanosine
|
| 56-85-9
|
G018-
|
KOX00267n
|
L-Gln
|
| 59-56-3
|
G020-
|
KOX00271n
|
Glucose 1-phosphate
|
| 59-56-3
|
G020+
|
KOX00272p
|
Glucose 1-phosphate
|
| 473-81-4
|
G027-
|
KOX00273n
|
Glycerate
|
| 526-95-4
|
G031-
|
KOX00274n
|
Gluconate
|
| 463-00-3
|
G032-
|
KOX00275n
|
g-Guanidinobutyrate
|
| 463-00-3
|
G032+
|
KOX00276p
|
g-Guanidinobutyrate
|
| 110-94-1
|
G036-
|
KOX00277n
|
Glutarate
|
| 556-50-3
|
G037-
|
KOX00278n
|
Gly-Gly
|
| 556-50-3
|
G037+
|
KOX00279p
|
Gly-Gly
|
| 3929-61-1
|
G043-
|
KOX00280n
|
Glu-Glu
|
| 3929-61-1
|
G043+
|
KOX00281p
|
Glu-Glu
|
| 149-91-7
|
G049-
|
KOX00282n
|
Gallate
|
| 475-31-0
|
G050-
|
KOX00283n
|
Glycocholate
|
| 475-31-0
|
G050+
|
KOX00284p
|
Glycocholate
|
| 1405-86-3
|
G057-
|
KOX00285n
|
Glycyrrhizate
|
| 1405-86-3
|
G057+
|
KOX00286p
|
Glycyrrhizate
|
| 3646-68-2
|
G061-
|
KOX00287n
|
Glucosaminate
|
| 3646-68-2
|
G061+
|
KOX00288p
|
Glucosaminate
|
|
|
G062-
|
KOX00289n
|
N-Glycolylneuraminate
|
|
|
G062+
|
KOX00290p
|
N-Glycolylneuraminate
|
|
|
G065-
|
KOX00291n
|
Galactosamine 1-phosphate
|
|
|
G065+
|
KOX00292p
|
Galactosamine 1-phosphate
|
|
|
G066-
|
KOX00293n
|
Galacturonate 1-phosphate
|
| 869-19-2
|
G071-
|
KOX00294n
|
Gly-Leu
|
| 869-19-2
|
G071+
|
KOX00295p
|
Gly-Leu
|
| 77-06-5
|
G074-
|
KOX00296n
|
Gibberellate
|
| 1449-05-4 471-53-4
|
G075-
|
KOX00297n
|
Glycyrrhetinate
|
| 1449-05-4 471-53-4
|
G075+
|
KOX00298p
|
Glycyrrhetinate
|
|
|
G088-
|
KOX00299n
|
Ganciclovir
|
|
|
G088+
|
KOX00300p
|
Ganciclovir
|
| 5418-95-1
|
G101-
|
KOX00301n
|
2-Guanidinobenzimidazole
|
| 5418-95-1
|
G101+
|
KOX00302p
|
2-Guanidinobenzimidazole
|
| 24305-27-9
|
G117-
|
KOX00305n
|
TRH
|
| 24305-27-9
|
G117+
|
KOX00306p
|
TRH
|
| 71-00-1
|
H002-
|
KOX00307n
|
His
|
| 71-00-1
|
H002+
|
KOX00308p
|
His
|
| 99-96-7
|
H005-
|
KOX00309n
|
p-Hydroxybenzoate
|
| 156-38-7
|
H006-
|
KOX00310n
|
p-Hydroxyphenylacetate
|
|
|
H007-
|
KOX00311n
|
p-Hydroxyphenylpyruvate
|
| 3650-73-5
|
H013-
|
KOX00312n
|
Homocarnosine
|
| 3650-73-5
|
H013+
|
KOX00313p
|
Homocarnosine
|
| 68-94-0
|
H014-
|
KOX00314n
|
Hypoxanthine
|
| 68-94-0
|
H014+
|
KOX00315p
|
Hypoxanthine
|
| 5006-66-6
|
H015-
|
KOX00316n
|
6-Hydroxynicotinate
|
| 5006-66-6
|
H015+
|
KOX00317p
|
6-Hydroxynicotinate
|
| 300-84-5
|
H017-
|
KOX00318n
|
Hypotaurine
|
| 300-84-5
|
H017+
|
KOX00319p
|
Hypotaurine
|
| 99-06-9
|
H019-
|
KOX00320n
|
m-Hydroxybenzoate
|
| 69-72-7
|
H020-
|
KOX00321n
|
o-Hydroxybenzoate
|
|
|
H022-
|
KOX00322n
|
b-Hydroxybutyrate
|
| 594-61-6
|
H026-
|
KOX00323n
|
2-Hydroxyisobutyrate
|
| 304-21-2
|
H027-
|
KOX00324n
|
Harmaline
|
| 304-21-2
|
H027+
|
KOX00325p
|
Harmaline
|
| 487-54-7
|
H028-
|
KOX00326n
|
o-Hydroxyhippurate
|
| 486-84-0
|
H029-
|
KOX00327n
|
Harman
|
| 486-84-0
|
H029+
|
KOX00328p
|
Harman
|
| 111-14-8
|
H031-
|
KOX00329n
|
Heptanoate
|
| 764-89-6
|
H034-
|
KOX00330n
|
8-Hydroxyoctanoate
|
| 617-73-2
|
H035-
|
KOX00331n
|
2-Hydroxyoctanoate
|
| 6064-63-7
|
H036-
|
KOX00332n
|
2-Hydroxyhexanoate
|
| 462-10-2
|
H041-
|
KOX00333n
|
Homocystine
|
| 2584-71-6
|
H048-
|
KOX00334n
|
cis-4-Hydroxyproline
|
|
|
H056-
|
KOX00336n
|
4-Hydroxy-3-methoxymandelate
|
|
|
H057-
|
KOX00337n
|
5-Hydroxy-3-indoleaceacetate
|
| 306-08-1
|
H059-
|
KOX00339n
|
Homovanillate
|
| 451-13-8
|
H060-
|
KOX00340n
|
Homogentisate
|
| 1191-25-9
|
H061-
|
KOX00341n
|
6-Hydroxyhexanoate
|
| 1190-94-9
|
H064-
|
KOX00342n
|
5-Hydroxylysine
|
| 1190-94-9
|
H064+
|
KOX00343p
|
5-Hydroxylysine
|
| 495-69-2
|
H065-
|
KOX00344n
|
Hippurate
|
| 501-97-3
|
H066-
|
KOX00345n
|
3-(4-Hydroxyphenyl)propionate
|
| 156-86-5
|
H073-
|
KOX00346n
|
Homoarginine
|
| 156-86-5
|
H073+
|
KOX00347p
|
Homoarginine
|
| 1135-24-6
|
H074-
|
KOX00348n
|
trans-4-Hydroxy-3-methoxycinnamate
|
| 1679-53-4
|
H077-
|
KOX00349n
|
10-Hydroxydecanoate
|
|
|
H081-
|
KOX00350n
|
4-Hydroxymandelate
|
| 503-49-1
|
H084-
|
KOX00351n
|
3-Hydroxy-3-methylglutarate
|
|
|
H086-
|
KOX00352n
|
threo-b-Hydroxyaspartate
|
| 20312-37-2
|
H091-
|
KOX00353n
|
2-Hydroxy-4-methylpentanoate
|
|
|
H096-
|
KOX00354n
|
Serine O-sulfate
|
|
|
H099-
|
KOX00355n
|
2-(4-Hydroxyphenyl)propionate
|
| 503-66-2
|
H110-
|
KOX00356n
|
b-Hydroxypropionate
|
| 121-34-6
|
H115-
|
KOX00357n
|
4-Hydroxy-3-methoxybenzoate
|
| 611-36-9
|
H139-
|
KOX00358n
|
4-Hydroxyquinoline
|
| 611-36-9
|
H139+
|
KOX00359p
|
4-Hydroxyquinoline
|
| 320-77-4
|
I001-
|
KOX00360n
|
Isocitrate
|
| 35656-49-6
|
I002-
|
KOX00361n
|
Indole-3-pyrubate
|
| 58-63-9
|
I003-
|
KOX00362n
|
Inosine
|
| 73-32-5
|
I008-
|
KOX00363n
|
Ile
|
| 73-32-5
|
I008+
|
KOX00364p
|
Ile
|
| 79-31-2
|
I012-
|
KOX00365n
|
Isobutyrate
|
| 97-65-4
|
I013-
|
KOX00366n
|
Itaconate
|
| 3038-89-9
|
I015-
|
KOX00367n
|
Isoguvacine
|
| 3038-89-9
|
I015+
|
KOX00368p
|
Isoguvacine
|
| 503-74-2
|
I018-
|
KOX00369n
|
3-Methylbutanoate
|
| 91-56-5
|
I019-
|
KOX00370n
|
Isatin
|
| 91-56-5
|
I019+
|
KOX00371p
|
Isatin
|
| 526-55-6
|
I021-
|
KOX00372n
|
Indole-3-ethanol
|
| 771-51-7
|
I022-
|
KOX00373n
|
3-Indoleacetonitrile
|
| 771-51-7
|
I022+
|
KOX00374p
|
3-Indoleacetonitrile
|
| 537-73-5
|
I024-
|
KOX00375n
|
Isoferulate
|
| 133-32-4
|
I025-
|
KOX00376n
|
3-Indolebutyrate
|
| 133-32-4
|
I025+
|
KOX00377p
|
3-Indolebutyrate
|
| 879-37-8
|
I030-
|
KOX00378n
|
Indole-3-acetamide
|
| 879-37-8
|
I030+
|
KOX00379p
|
Indole-3-acetamide
|
| 87-51-4
|
I038-
|
KOX00380n
|
Indole-3-acetate
|
| 87-51-4
|
I038+
|
KOX00381p
|
Indole-3-acetate
|
| 107-36-8
|
I041-
|
KOX00382n
|
Isethionate
|
|
|
I048-
|
KOX00383n
|
2-Isopropylmalate
|
| 70-78-0
|
I050-
|
KOX00384n
|
3-Iodotyrosine
|
| 70-78-0
|
I050+
|
KOX00385p
|
3-Iodotyrosine
|
| 2642-37-7
|
I054-
|
KOX00386n
|
3-Indoxyl sulfate
|
| 54-85-3
|
I066-
|
KOX00387n
|
Isonicotinate hydrazide
|
| 54-85-3
|
I066+
|
KOX00388p
|
Isonicotinate hydrazide
|
| 3184-35-8
|
K009-
|
KOX00389n
|
2-Oxoadipate
|
| 61-90-5
|
L003-
|
KOX00390n
|
Leu
|
| 61-90-5
|
L003+
|
KOX00391p
|
Leu
|
| 56-87-1
|
L004-
|
KOX00392n
|
Lys
|
| 56-87-1
|
L004+
|
KOX00393p
|
Lys
|
| 79-33-4
|
L005-
|
KOX00394n
|
Lactate
|
| 24365-47-7
|
L006-
|
KOX00395n
|
Leupeptin hemisulfate
|
| 24365-47-7
|
L006+
|
KOX00396p
|
Leupeptin hemisulfate
|
| 20368-24-5
|
L007-
|
KOX00397n
|
Leu-Leu-Tyr
|
| 20368-24-5
|
L007+
|
KOX00398p
|
Leu-Leu-Tyr
|
| 143-07-7
|
L013-
|
KOX00399n
|
Laurate
|
| 25138-66-3
|
L016-
|
KOX00400n
|
S-Lactoylglutathione
|
| 25138-66-3
|
L016+
|
KOX00401p
|
S-Lactoylglutathione
|
| 60-33-3
|
L030-
|
KOX00402n
|
(9Z, 12Z)-Octadecadienoate
|
| 22255-40-9
|
L043-
|
KOX00403n
|
Loganate
|
| 97-67-6
|
M002-
|
KOX00404n
|
Malate
|
| 63-68-3
|
M003-
|
KOX00405n
|
Met
|
| 63-68-3
|
M003+
|
KOX00406p
|
Met
|
|
|
M006-
|
KOX00407n
|
3-Methyl-2-oxobutanoate
|
|
|
M007-
|
KOX00408n
|
4-Methyl-2-oxopentanoate
|
| 3672-15-9
|
M008-
|
KOX00409n
|
Mannose 6-phosphate
|
|
|
M009-
|
KOX00410n
|
threo-b-methylaspartate
|
| 141-82-2
|
M012-
|
KOX00411n
|
Malonate
|
| 516-05-2
|
M014-
|
KOX00412n
|
Methylmalonate
|
| 616-04-6
|
M016-
|
KOX00413n
|
1-Methylhydantoin
|
| 99-94-5
|
M017-
|
KOX00414n
|
4-Methylbenzoate
|
| 99-04-7
|
M018-
|
KOX00415n
|
3-Methylbenzoate
|
| 75-75-2
|
M021-
|
KOX00416n
|
Methanesulfonate
|
| 110-16-7
|
M026-
|
KOX00417n
|
Maleate
|
| 3913-67-5
|
M028-
|
KOX00418n
|
N-Methylalanine
|
|
|
M035+
|
KOX00420p
|
Minoxidil
|
| 78415-72-2
|
M037+
|
KOX00422p
|
Milrinone
|
| 608-07-1
|
M040-
|
KOX00423n
|
5-Methoxytryptamine
|
| 608-07-1
|
M040+
|
KOX00424p
|
5-Methoxytryptamine
|
| 544-63-8
|
M041-
|
KOX00425n
|
Myristate
|
| 2958-98-7
|
M042-
|
KOX00426n
|
3-Methylguanine
|
| 2958-98-7
|
M042+
|
KOX00427p
|
3-Methylguanine
|
| 578-76-7
|
M043-
|
KOX00428n
|
7-Methylguanine
|
| 578-76-7
|
M043+
|
KOX00429p
|
7-Methylguanine
|
| 544-64-9
|
M044-
|
KOX00430n
|
Myristoleate
|
|
|
M052-
|
KOX00431n
|
4-Methylpentanoate
|
| 73-31-4
|
M053-
|
KOX00432n
|
Melatonin
|
| 73-31-4
|
M053+
|
KOX00433p
|
Melatonin
|
| 50-44-2
|
M054-
|
KOX00434n
|
6-Mercaptopurine
|
| 50-44-2
|
M054+
|
KOX00435p
|
6-Mercaptopurine
|
| 90-64-2 611-72-3
|
M057-
|
KOX00436n
|
(S)-Mandelate
|
| 75-93-4
|
M062-
|
KOX00437n
|
Methyl sulfate
|
| 526-99-8
|
M065-
|
KOX00438n
|
Mucate
|
|
|
M067-
|
KOX00439n
|
N-Methylglutamate
|
|
|
M067+
|
KOX00440p
|
N-Methylglutamate
|
| 443-72-1
|
M072-
|
KOX00441n
|
6-Methylaminopurine
|
| 5142-22-3
|
M074-
|
KOX00442n
|
1-Methyladenine
|
| 5142-22-3
|
M074+
|
KOX00443p
|
1-Methyladenine
|
|
|
M078-
|
KOX00444n
|
5-Methoxy-3-indoleaceate
|
|
|
M078+
|
KOX00445p
|
5-Methoxy-3-indoleaceate
|
| 61-68-7
|
M089-
|
KOX00448n
|
Mefenamate
|
| 61-68-7
|
M089+
|
KOX00449p
|
Mefenamate
|
|
|
M104+
|
KOX00451p
|
6-Methylmercaptopurine
|
| 505-70-4
|
M105-
|
KOX00452n
|
cis,cis-Muconic acid
|
|
|
M114-
|
KOX00453n
|
Methionine sulfoximine
|
|
|
M114+
|
KOX00454p
|
Methionine sulfoximine
|
| 119-68-6
|
M127-
|
KOX00455n
|
N-Methylanthranilate
|
| 119-68-6
|
M127+
|
KOX00456p
|
N-Methylanthranilate
|
| 10118-90-8
|
M159-
|
KOX00458n
|
Minocycline
|
| 10118-90-8
|
M159+
|
KOX00459p
|
Minocycline
|
|
|
M163-
|
KOX00460n
|
(Methylthio)acetate
|
| 59-67-6
|
N004-
|
KOX00461n
|
Nicotinate
|
| 59-67-6
|
N004+
|
KOX00462p
|
Nicotinate
|
| 6600-40-4
|
N009-
|
KOX00463n
|
Norvaline
|
| 6600-40-4
|
N009+
|
KOX00464p
|
Norvaline
|
| 100-01-6
|
N012+
|
KOX00467p
|
p-Nitroaniline
|
| 327-57-1
|
N014-
|
KOX00468n
|
Norleucine
|
| 327-57-1
|
N014+
|
KOX00469p
|
Norleucine
|
| 22204-53-1
|
N018-
|
KOX00470n
|
Naproxen
|
| 22204-53-1
|
N018+
|
KOX00471p
|
Naproxen
|
| 328-50-7
|
O002-
|
KOX00472n
|
2-Oxoglutarate
|
| 70-26-8
|
O003-
|
KOX00473n
|
L-Ornithine
|
| 70-26-8
|
O003+
|
KOX00474p
|
L-Ornithine
|
| 98-79-3
|
O008-
|
KOX00475n
|
L-5-Oxoproline
|
| 98-79-3
|
O008+
|
KOX00476p
|
L-5-Oxoproline
|
| 34522-32-2
|
O009-
|
KOX00477n
|
Octopine
|
| 34522-32-2
|
O009+
|
KOX00478p
|
Octopine
|
| 471-47-6
|
O011-
|
KOX00479n
|
Oxamate
|
| 504-15-4
|
O013-
|
KOX00480n
|
Orcinol
|
|
|
O014-
|
KOX00481n
|
4-Oxohexanoate
|
| 2149-82-8
|
O015-
|
KOX00482n
|
Orotidine 5'-monophosphate
|
| 2149-82-8
|
O015+
|
KOX00483p
|
Orotidine 5'-monophosphate
|
| 63-91-2
|
P002-
|
KOX00484n
|
Phe
|
| 63-91-2
|
P002+
|
KOX00485p
|
Phe
|
| 147-85-3
|
P003+
|
KOX00487p
|
Pro
|
| 138-08-9
|
P007-
|
KOX00488n
|
Phosphoenolpyruvate
|
| 138-08-9
|
P007+
|
KOX00489p
|
Phosphoenolpyruvate
|
| 66-72-8
|
P014-
|
KOX00490n
|
Pyridoxal
|
| 66-72-8
|
P014+
|
KOX00491p
|
Pyridoxal
|
|
|
P023-
|
KOX00492n
|
5-Phosphorylribose 1-pyrophosphate
|
| 79-09-4
|
P024-
|
KOX00493n
|
Propionate
|
| 127-17-3
|
P027-
|
KOX00494n
|
Pyruvate
|
|
|
P029-
|
KOX00495n
|
2-Phosphoglycerate
|
|
|
P029+
|
KOX00496p
|
2-Phosphoglycerate
|
|
|
P031-
|
KOX00497n
|
6-Phosphogluconate
|
| 79-83-4
|
P032-
|
KOX00498n
|
Pantothenate
|
| 79-83-4
|
P032+
|
KOX00499p
|
Pantothenate
|
| 701-64-4
|
P033-
|
KOX00500n
|
Phenyl phosphate
|
| 701-64-4
|
P033+
|
KOX00501p
|
Phenyl phosphate
|
| 54-47-7
|
P038-
|
KOX00502n
|
Pyridoxal 5-phosphate
|
| 59703-84-3
|
P039-
|
KOX00503n
|
Piperacillin
|
| 59703-84-3
|
P039+
|
KOX00504p
|
Piperacillin
|
| 471-25-0
|
P040-
|
KOX00505n
|
Propiolate
|
| 373-49-9
|
P044-
|
KOX00506n
|
Palmitoleate
|
| 3105-95-1
|
P048-
|
KOX00507n
|
Pipecolate
|
| 3105-95-1
|
P048+
|
KOX00508p
|
Pipecolate
|
| 65-23-6
|
P053-
|
KOX00509n
|
Pyridoxine
|
| 65-23-6
|
P053+
|
KOX00510p
|
Pyridoxine
|
| 51-52-5
|
P055-
|
KOX00511n
|
Propylthiouracil
|
| 51-52-5
|
P055+
|
KOX00512p
|
Propylthiouracil
|
| 59-42-7
|
P059-
|
KOX00513n
|
Phenylephrine
|
| 59-42-7
|
P059+
|
KOX00514p
|
Phenylephrine
|
| 111-16-0
|
P063-
|
KOX00515n
|
Pimelate
|
| 551-11-1
|
P066-
|
KOX00516n
|
Prostaglandin F2a
|
| 2238-90-6
|
P067-
|
KOX00517n
|
Psychosine
|
| 2238-90-6
|
P067+
|
KOX00518p
|
Psychosine
|
| 36322-90-4
|
P068-
|
KOX00519n
|
Piroxicam
|
| 36322-90-4
|
P068+
|
KOX00520p
|
Piroxicam
|
| 112-05-0
|
P069-
|
KOX00521n
|
Pelargonate
|
| 495-78-3
|
P072-
|
KOX00522n
|
3-(2-Hydroxyphenyl)propionate
|
| 53-79-2
|
P075-
|
KOX00525n
|
Puromycin
|
| 53-79-2
|
P075+
|
KOX00526p
|
Puromycin
|
| 88-99-3
|
P080-
|
KOX00527n
|
Phthalate
|
| 89-00-9
|
P094-
|
KOX00530n
|
2,3-Pyridinedicarboxylate
|
| 89-00-9
|
P094+
|
KOX00531p
|
2,3-Pyridinedicarboxylate
|
| 501-52-0
|
P109-
|
KOX00532n
|
3-Phenylpropionate
|
|
|
P111-
|
KOX00533n
|
3-Phenyllactate
|
|
|
P112-
|
KOX00534n
|
Pyrrole 2-carboxylate
|
| 529-96-4
|
P113-
|
KOX00535n
|
Pyridoxamine 5'-phosphate
|
| 529-96-4
|
P113+
|
KOX00536p
|
Pyridoxamine 5'-phosphate
|
| 85-87-0
|
P116-
|
KOX00537n
|
Pyridoxamine
|
| 36357-77-4
|
P122-
|
KOX00538n
|
Phosphoramidon
|
| 36357-77-4
|
P122+
|
KOX00539p
|
Phosphoramidon
|
| 122-59-8
|
P129-
|
KOX00540n
|
Phenoxyacetate
|
| 52809-07-1
|
Q003-
|
KOX00541n
|
Quisqualate
|
|
|
Q004-
|
KOX00543n
|
Quinate
|
|
|
R002-
|
KOX00544n
|
Ribose 5-phosphate
|
| 24218-00-6
|
R005-
|
KOX00545n
|
Ribulose 1,5-diphosphate
|
| 25546-65-0
|
R016-
|
KOX00546n
|
Ribostamycin
|
| 25546-65-0
|
R016+
|
KOX00547p
|
Ribostamycin
|
| 14075-00-4
|
R017-
|
KOX00548n
|
Ribose 1-phosphate
|
| 478-43-3
|
R037-
|
KOX00550n
|
Rhein
|
|
|
R041-
|
KOX00551n
|
Ranitidine
|
|
|
R041+
|
KOX00552p
|
Ranitidine
|
| 56-45-1
|
S002-
|
KOX00553n
|
Ser
|
| 56-45-1
|
S002+
|
KOX00554p
|
Ser
|
| 110-15-6
|
S004-
|
KOX00555n
|
Succinate
|
| 138-59-0
|
S012-
|
KOX00556n
|
Shikimate
|
| 505-48-6
|
S013-
|
KOX00557n
|
Suberate
|
| 505-48-6
|
S013+
|
KOX00558p
|
Suberate
|
| 107-97-1
|
S014-
|
KOX00559n
|
Sarcosine
|
| 107-97-1
|
S014+
|
KOX00560p
|
Sarcosine
|
| 123-56-8
|
S015-
|
KOX00561n
|
Succinimide
|
| 111-20-6
|
S017-
|
KOX00562n
|
Sebacate
|
| 530-57-4
|
S018-
|
KOX00563n
|
Syringate
|
| 530-59-6
|
S028-
|
KOX00565n
|
Sinapate
|
| 57-92-1
|
S031-
|
KOX00566n
|
Streptomycin sulfate
|
| 32385-11-8
|
S047-
|
KOX00569n
|
Sisomicin
|
| 20479-58-7
|
S049-
|
KOX00572n
|
Sorbitol 6-phosphate
|
| 20479-58-7
|
S049+
|
KOX00573p
|
Sorbitol 6-phosphate
|
| 636-78-2
|
S052-
|
KOX00574n
|
4-Sulfobenzoate
|
| 121-57-3
|
S073-
|
KOX00575n
|
Sulfanilate
|
| 72-14-0
|
S079-
|
KOX00576n
|
Sulfathiazole
|
| 72-14-0
|
S079+
|
KOX00577p
|
Sulfathiazole
|
| 2646-35-7
|
S083-
|
KOX00578n
|
Sedoheptulose 7-phosphate
|
| 60-18-4
|
T002-
|
KOX00579n
|
Tyr
|
| 60-18-4
|
T002+
|
KOX00580p
|
Tyr
|
| 73-22-3
|
T003-
|
KOX00581n
|
Trp
|
| 73-22-3
|
T003+
|
KOX00582p
|
Trp
|
| 107-35-7
|
T004-
|
KOX00583n
|
Taurine
|
| 107-35-7
|
T004+
|
KOX00584p
|
Taurine
|
| 72-19-5
|
T010-
|
KOX00585n
|
Thr
|
| 72-19-5
|
T010+
|
KOX00586p
|
Thr
|
| 50-89-5
|
T014-
|
KOX00587n
|
Thymidine
|
| 50-89-5
|
T014+
|
KOX00588p
|
Thymidine
|
| 65-71-4
|
T015-
|
KOX00589n
|
Thymine
|
| 65-71-4
|
T015+
|
KOX00590p
|
Thymine
|
| 80-59-1
|
T016-
|
KOX00591n
|
Tiglate
|
| 87-69-4
|
T023-
|
KOX00594n
|
Tartarate
|
| 58-55-9
|
T029-
|
KOX00595n
|
Theophylline
|
| 118-90-1
|
T038-
|
KOX00597n
|
o-Toluate
|
| 6893-02-3
|
T040-
|
KOX00598n
|
3,3',5-Triiodothyronine
|
| 6893-02-3
|
T040+
|
KOX00599p
|
3,3',5-Triiodothyronine
|
| 81-24-3
|
T043-
|
KOX00600n
|
Taurocholate
|
| 81-24-3
|
T043+
|
KOX00601p
|
Taurocholate
|
| 80-69-3
|
T050-
|
KOX00602n
|
Tartronate
|
|
|
T054-
|
KOX00603n
|
Tryptophanamide
|
|
|
T054+
|
KOX00604p
|
Tryptophanamide
|
| 59-43-8
|
T056+
|
KOX00606p
|
Thiamine
|
| 532-40-1
|
T057+
|
KOX00608p
|
Thiamine monophosphate
|
| 529-64-6 552-63-6
|
T059-
|
KOX00609n
|
Tropate
|
| 4484-88-2
|
T065-
|
KOX00610n
|
Trehalose 6-phosphate
|
| 4484-88-2
|
T065+
|
KOX00611p
|
Trehalose 6-phosphate
|
|
|
T072-
|
KOX00612n
|
Taurolithocholate
|
|
|
T072+
|
KOX00613p
|
Taurolithocholate
|
| 100-21-0
|
T100-
|
KOX00614n
|
Terephthalate
|
| 43121-43-3
|
T112-
|
KOX00615n
|
Triadimefon
|
| 43121-43-3
|
T112+
|
KOX00616p
|
Triadimefon
|
| 93-76-5
|
T113-
|
KOX00617n
|
2,4,5-Trichlorophenoxyacetate
|
| 66-22-8
|
U004-
|
KOX00618n
|
Uracil
|
| 104-98-3
|
U011-
|
KOX00619n
|
Urocanate
|
| 104-98-3
|
U011+
|
KOX00620p
|
Urocanate
|
| 112-37-8
|
U012-
|
KOX00621n
|
Undecanoate
|
| 72-18-4
|
V001-
|
KOX00622n
|
Val
|
| 72-18-4
|
V001+
|
KOX00623p
|
Val
|
| 109-52-4
|
V002-
|
KOX00624n
|
Pentanoate
|
| 99-66-1
|
V003-
|
KOX00625n
|
Valproate
|
| 59-00-7
|
X004-
|
KOX00627n
|
Xanthurenate
|
| 59-00-7
|
X004+
|
KOX00628p
|
Xanthurenate
|
|
|
X008-
|
KOX00629n
|
Xylose 1-phosphate
|
| 7481-89-2
|
Z001-
|
KOX00630n
|
Zalcitabine
|
| 7481-89-2
|
Z001+
|
KOX00631p
|
Zalcitabine
|
| 1637-39-4
|
Z002-
|
KOX00632n
|
trans-Zeatin
|
| 1637-39-4
|
Z002+
|
KOX00633p
|
trans-Zeatin
|
| 1160-54-9
|
Z003-
|
KOX00634n
|
Z-Gly-Pro
|
| 1160-54-9
|
Z003+
|
KOX00635p
|
Z-Gly-Pro
|
| 29908-03-0
|
A020+
|
KOX00636p
|
S-Adenosylmethionine
|
| 5192-23-4
|
A035+
|
KOX00637p
|
4-Aminoindole
|
| 5192-03-0
|
A036+
|
KOX00638p
|
5-Aminoindole
|
| 151-18-8
|
A044+
|
KOX00639p
|
3-Aminopropionitrile
|
|
|
A046+
|
KOX00640p
|
3-Amino-1,2-propanediol
|
| 18233-70-0
|
A051+
|
KOX00641p
|
N-Acetylputrescine
|
| 106-60-5
|
A052+
|
KOX00642p
|
5-Aminolevulinate
|
| 62-53-3
|
A054+
|
KOX00643p
|
Aniline
|
| 51-84-3
|
A060+
|
KOX00644p
|
Acetylcholine
|
| 768-94-5
|
A061+
|
KOX00645p
|
1-Adamantanamine
|
| 556-27-4
|
A064+
|
KOX00646p
|
Alliin
|
| 494-52-0
|
A068+
|
KOX00647p
|
Anabasine
|
| 58-15-1
|
A069+
|
KOX00648p
|
Aminopyrine
|
| 51-55-8
|
A080+
|
KOX00649p
|
Atropine
|
|
|
A103+
|
KOX00652p
|
Arginine ethyl ester
|
| 306-60-5
|
A104+
|
KOX00653p
|
Agmatine
|
| 77928-70-2
|
A111+
|
KOX00654p
|
N1-Acetylspermine
|
| 34450-15-2
|
A112+
|
KOX00655p
|
N8-Acetylspermidine
|
| 95-55-6
|
A114+
|
KOX00656p
|
2-Aminophenol
|
| 321-64-2
|
A123+
|
KOX00657p
|
9-Amino-1,2,3,4-tetrahydroacridine
|
| 24240-04-8 485-91-6
|
A137+
|
KOX00658p
|
Allocryptopine
|
|
|
A143+
|
KOX00659p
|
O-Acetylcarnitine
|
| 20537-88-6
|
A170+
|
KOX00661p
|
Amifostine
|
| 77-86-1
|
A194+
|
KOX00662p
|
2-Amino-2-(hydroxymethyl)-1,3-propanediol
|
| 69-53-4
|
A197+
|
KOX00663p
|
Ampicillin
|
| 1007-28-9
|
A203+
|
KOX00664p
|
Deisopropylatrazine
|
| 115-69-5
|
A224+
|
KOX00665p
|
2-Amino-2-methyl-1,3-propanediol
|
| 2609-46-3
|
A225+
|
KOX00666p
|
Amiloride
|
| 78123-71-4
|
A226+
|
KOX00667p
|
DAMGO
|
| 37517-28-5
|
A239+
|
KOX00668p
|
Amikacin
|
| 110-60-1
|
B001+
|
KOX00669p
|
1,4-Butanediamine
|
| 618-39-3
|
B004+
|
KOX00670p
|
Benzamidine
|
| 55-21-0
|
B009+
|
KOX00671p
|
Benzamide
|
| 692-13-7
|
B010+
|
KOX00672p
|
Buformin
|
| 94-09-7
|
B011+
|
KOX00673p
|
Benzocaine
|
|
|
B013+
|
KOX00674p
|
Baclofen
|
|
|
B026+
|
KOX00676p
|
Na-Benzenolarginine ethylester
|
| 56-18-8
|
B040+
|
KOX00679p
|
Bis(3-aminopropyl)amine
|
| 7418-61-3
|
B044+
|
KOX00680p
|
Betaine aldehyde
|
| 107-43-7
|
B047+
|
KOX00681p
|
Betaine
|
| 515-25-3
|
B090+
|
KOX00682p
|
Betonicine
|
| 57-00-1
|
C008+
|
KOX00683p
|
Creatine
|
| 58-08-2
|
C028+
|
KOX00684p
|
Caffeine
|
| 462-94-2
|
C032+
|
KOX00685p
|
1,5-Diaminopentane
|
| 541-15-1
|
C041+
|
KOX00686p
|
Carnitine
|
| 79831-76-8
|
C043+
|
KOX00687p
|
Castanospermine
|
|
|
C044+
|
KOX00688p
|
Carbachol
|
| 56-88-2
|
C047+
|
KOX00689p
|
Cystathionine
|
| 100-70-9
|
C089+
|
KOX00690p
|
2-Cyanopyridine
|
| 108-91-8
|
C114+
|
KOX00691p
|
Cyclohexylamine
|
| 85721-33-1
|
C133+
|
KOX00692p
|
Ciprofloxacin
|
| 10605-21-7
|
C170+
|
KOX00693p
|
Carbendazim
|
| 121552-61-2
|
C172+
|
KOX00694p
|
Cyprodinil
|
|
|
C191+
|
KOX00695p
|
Clonidine
|
| 407-64-7
|
C220+
|
KOX00696p
|
g-Butyrobetaine
|
| 121-69-7
|
D032+
|
KOX00697p
|
N,N-Dimethylaniline
|
| 111-42-2
|
D033+
|
KOX00698p
|
Diethanolamine
|
| 109-76-2
|
D035+
|
KOX00699p
|
1,3-Diaminopropane
|
| 1118-68-9
|
D036+
|
KOX00700p
|
N,N-Dimethylglycine
|
|
|
D037+
|
KOX00701p
|
2,3-Diaminopropionate
|
| 1758-80-1
|
D038+
|
KOX00702p
|
2,4-Diaminobutyrate
|
| 579-66-8
|
D039+
|
KOX00703p
|
2,6-Diethylaniline
|
| 122-39-4
|
D044+
|
KOX00704p
|
Diphenylamine
|
| 2037-48-1
|
D061+
|
KOX00705p
|
2-Deoxystreptamine
|
| 2457-80-9
|
D067-
|
KOX00706n
|
5'-Deoxy-5'-Methylthioadenosine
|
| 2457-80-9
|
D067+
|
KOX00707p
|
5'-Deoxy-5'-Methylthioadenosine
|
| 958-09-8
|
D069+
|
KOX00708p
|
2'-Deoxyadenosine
|
| 533-48-2
|
D075+
|
KOX00709p
|
Desthiobiotin
|
| 764-22-7
|
D078+
|
KOX00710p
|
Dihydrosphingosine
|
| 4754-39-6
|
D082+
|
KOX00711p
|
5'-Deoxyadenosine
|
|
|
D083+
|
KOX00712p
|
Dimethyl malate
|
| 582-60-5
|
D087+
|
KOX00713p
|
5,6-Dimethylbenzimidazol
|
| 124-40-3
|
D103+
|
KOX00714p
|
Dimethylamine
|
| 20830-81-3
|
D106+
|
KOX00715p
|
Daunorubicin
|
| 2431-96-1
|
D122+
|
KOX00718p
|
Diethyl-2-phenylacetamide
|
| 87-62-7
|
D178+
|
KOX00719p
|
2,6-Dimethylaniline
|
| 95-68-1
|
D180+
|
KOX00720p
|
2,4-Dimethylaniline
|
| 479-18-5
|
D183+
|
KOX00721p
|
Dyphylline
|
| 34368-04-2
|
D185+
|
KOX00722p
|
Dobutamine
|
| 57-47-6
|
E007+
|
KOX00723p
|
Eserine
|
| 128-53-0
|
E008+
|
KOX00724p
|
N-Ethylmaleimide
|
| 501-15-5
|
E013+
|
KOX00725p
|
Epinine
|
| 141-43-5
|
E023+
|
KOX00726p
|
Ethanolamine
|
| 75-04-7
|
E025+
|
KOX00727p
|
Ethylamine
|
| 13073-35-3
|
E056+
|
KOX00729p
|
Ethionine
|
|
|
F013+
|
KOX00730p
|
Butyl pyridine-2-carboxylate
|
| 458-24-2
|
F016+
|
KOX00731p
|
Fenfluramine
|
| 371-40-4
|
F048+
|
KOX00732p
|
4-Fluoroaniline
|
| 5959-95-5
|
G006+
|
KOX00733p
|
D-Gln
|
| 27025-41-8
|
G008+
|
KOX00734p
|
Oxidized glutathione
|
| 3616-42-0
|
G021-
|
KOX00735n
|
Glucosamine 6-phosphate
|
| 3616-42-0
|
G021+
|
KOX00736p
|
Glucosamine 6-phosphate
|
|
|
G039+
|
KOX00737p
|
b-Guanidinopropionate
|
| 87-52-5
|
G041+
|
KOX00738p
|
Gramine
|
| 7535-00-4
|
G046+
|
KOX00739p
|
Galactosamine
|
|
|
G069+
|
KOX00741p
|
Glycerophosphorylcholine
|
| 672-15-1
|
H003+
|
KOX00743p
|
Homoserine
|
| 51-35-4
|
H004+
|
KOX00744p
|
Hydroxyproline
|
| 142-08-5
|
H021+
|
KOX00745p
|
2-Hydroxypyridine
|
| 822-55-9
|
H025+
|
KOX00746p
|
4-Hydroxymethylimidazole
|
|
|
H050+
|
KOX00748p
|
3-Hydroxykynurenine
|
| 51-45-6
|
H058+
|
KOX00749p
|
Histamine
|
|
|
H069+
|
KOX00750p
|
Histidinol
|
| 67037-37-0
|
H097+
|
KOX00752p
|
Eflornithine
|
| 127-07-1
|
H104+
|
KOX00753p
|
Hydroxyurea
|
|
|
H112+
|
KOX00754p
|
Hexamethylene tetramine
|
| 2799-16-8
|
I011+
|
KOX00755p
|
Isopropanolamine
|
| 645-65-8
|
I014+
|
KOX00756p
|
Imidazole-4-acetate
|
| 55-22-1
|
I017+
|
KOX00757p
|
Isonicotinate
|
| 107-85-7
|
I039+
|
KOX00758p
|
Isoamylamine
|
| 288-32-4
|
I046+
|
KOX00759p
|
Imidazole
|
| 1453-82-3
|
I051+
|
KOX00760p
|
Isonicotinamide
|
|
|
I053+
|
KOX00761p
|
b-Imidazolelactate
|
| 55-65-2
|
I063+
|
KOX00762p
|
Ismelin
|
| 119-65-3
|
I067+
|
KOX00763p
|
Isoquinoline
|
| 343-65-7
|
K004+
|
KOX00766p
|
Kynurenine
|
| 6740-88-1
|
K005+
|
KOX00767p
|
Ketamine
|
|
|
L027+
|
KOX00769p
|
Lysinamide
|
| 940-69-2
|
L031+
|
KOX00770p
|
a-Lipoamide
|
|
|
L034+
|
KOX00771p
|
Lidocaine
|
| 53179-11-6
|
L047+
|
KOX00772p
|
Loperamide
|
|
|
L057+
|
KOX00773p
|
b-Leucine
|
| 137-00-8
|
M013+
|
KOX00775p
|
4-Methyl-5-thiazoleethanol
|
| 872-50-4
|
M024+
|
KOX00776p
|
1-Methyl-2-pyrrolidone
|
|
|
M025-
|
KOX00777n
|
a-Methylserine
|
|
|
M025+
|
KOX00778p
|
a-Methylserine
|
| 554-01-8
|
M029+
|
KOX00779p
|
5-Methylcytosine
|
| 5142-23-4
|
M030+
|
KOX00780p
|
3-Methyladenine
|
|
|
M032+
|
KOX00781p
|
Metformin
|
|
|
M033+
|
KOX00782p
|
Metronidazole
|
| 28289-54-5
|
M034+
|
KOX00783p
|
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
|
| 60-40-2
|
M039+
|
KOX00784p
|
Mecamylamine
|
| 61-73-4
|
M047+
|
KOX00785p
|
Methylene blue
|
| 15763-06-1
|
M051+
|
KOX00787p
|
1-Methyladenosine
|
| 3106-60-3
|
M063+
|
KOX00788p
|
1-Methylnicotinamide
|
| 100-61-8
|
M066+
|
KOX00789p
|
N-Methylaniline
|
| 555-57-7
|
M071+
|
KOX00790p
|
N-Methyl-N-propagylbenzylamine
|
|
|
M076+
|
KOX00791p
|
L-3-Methylhistidine
|
| 368-16-1
|
M077-
|
KOX00792n
|
D-3-Methylhistidine
|
| 1114-41-6
|
M082+
|
KOX00795p
|
Muramate
|
| 60-99-1
|
M099+
|
KOX00796p
|
Methotrimeprazine
|
| 61-49-4
|
M101+
|
KOX00797p
|
Nw-Methyltryptamine
|
| 1019-45-0
|
M103+
|
KOX00798p
|
5-Methoxy-N,N-dimethyltryptamine
|
| 2002-35-9
|
M110+
|
KOX00799p
|
N6-Methyl-2'-deoxyadenosine
|
| 54-36-4
|
M111+
|
KOX00800p
|
Metyrapone
|
| 2763-96-4
|
M115+
|
KOX00801p
|
Muscimol
|
| 7554-65-6
|
M124+
|
KOX00802p
|
4-Methylpyrazole
|
|
|
M126+
|
KOX00803p
|
2-Mercapto-1-methylimidazole
|
| 101-14-4
|
M142+
|
KOX00804p
|
4,4'-Methylene bis(o-chloroaniline)
|
| 615-22-5
|
M150+
|
KOX00805p
|
2-Methylmercaptobenzothiazole
|
| 361-37-5
|
M156+
|
KOX00806p
|
Methysergide
|
|
|
M167+
|
KOX00807p
|
Metaraminol
|
| 390-28-3
|
M169+
|
KOX00808p
|
Methoxamine
|
| 532-12-7
|
M172+
|
KOX00809p
|
Myosmine
|
| 98-92-0
|
N001+
|
KOX00810p
|
Nicotinamide
|
| 54-11-5
|
N016+
|
KOX00811p
|
Nicotine
|
| 51-41-2
|
N028+
|
KOX00814p
|
Noradrenaline
|
| 114-80-7
|
N063+
|
KOX00815p
|
Neostigmine
|
| 389-08-2
|
N067+
|
KOX00817p
|
Nalidixate
|
| 111-86-4
|
O007+
|
KOX00819p
|
Octylamine
|
| 3922-90-5
|
O016+
|
KOX00820p
|
Oleandomycin
|
|
|
P028+
|
KOX00821p
|
3-Phosphoglycerate
|
| 110-89-4
|
P034+
|
KOX00822p
|
Piperidine
|
| 25265-76-3 108-45-2
|
P035+
|
KOX00823p
|
1,3-Phenylenediamine
|
| 94-78-0
|
P036+
|
KOX00824p
|
Phenazopyridine
|
| 110-86-1
|
P041+
|
KOX00825p
|
Pyridine
|
| 98-98-6
|
P045+
|
KOX00826p
|
2-Picolate
|
| 110-85-0
|
P046+
|
KOX00827p
|
Piperazine
|
| 64-04-0
|
P047+
|
KOX00828p
|
Phenylethylamine
|
| 120-73-0
|
P049+
|
KOX00829p
|
Purine
|
| 552-70-5
|
P054+
|
KOX00830p
|
Pseudopelletierine
|
| 6735-59-7
|
P056+
|
KOX00831p
|
Pralidoxime
|
| 66-71-7
|
P057+
|
KOX00832p
|
o-Phenanthroline
|
| 407-41-0
|
P060+
|
KOX00833p
|
O-Phosphoserine
|
| 125-33-7
|
P061+
|
KOX00834p
|
Primidone
|
| 130-86-9
|
P070+
|
KOX00836p
|
Protopine
|
| 3486-67-7
|
P071+
|
KOX00837p
|
Palmatine
|
| 107-73-3
|
P074+
|
KOX00838p
|
Phosphorylcholine
|
| 82-82-6
|
P079-
|
KOX00839n
|
4-Pyridoxate
|
| 82-82-6
|
P079+
|
KOX00840p
|
4-Pyridoxate
|
| 550-33-4 9030-21-1
|
P081+
|
KOX00841p
|
Purine riboside
|
| 4408-78-0
|
P082+
|
KOX00842p
|
Phosphonoacetate
|
| 67-07-2
|
P084+
|
KOX00843p
|
Phosphocreatine
|
| 288-13-1
|
P095-
|
KOX00844n
|
Pyrazole
|
| 288-13-1
|
P095+
|
KOX00845p
|
Pyrazole
|
| 98-96-4
|
P098+
|
KOX00846p
|
Pyrazinamide
|
| 1452-77-3
|
P099+
|
KOX00847p
|
Picolinamide
|
| 1189-11-3
|
P105+
|
KOX00848p
|
Phosphoarginine
|
| 39809-25-1
|
P157+
|
KOX00851p
|
Penciclovir
|
| 23103-98-2
|
P177+
|
KOX00852p
|
Pirimicarb
|
| 40487-42-1
|
P183+
|
KOX00853p
|
Prowl (TM)
|
| 59-46-1
|
P190+
|
KOX00854p
|
Procaine
|
| 19216-56-9
|
P191+
|
KOX00855p
|
Prazosin
|
| 525-66-6
|
P192+
|
KOX00856p
|
Propranolol
|
|
|
P206+
|
KOX00857p
|
Phenoxybenzamine
|
|
|
P209+
|
KOX00858p
|
Pentamidine
|
| 59-31-4
|
Q001+
|
KOX00859p
|
2(1H)-Quinolinone
|
| 91-22-5
|
Q008+
|
KOX00860p
|
Quinoline
|
| 124-20-9
|
S003+
|
KOX00861p
|
Spermidine
|
| 71-44-3
|
S011+
|
KOX00862p
|
Spermine
|
| 63-74-1
|
S016+
|
KOX00863p
|
Sulfanilamide
|
| 57-56-7
|
S034+
|
KOX00864p
|
Semicarbazide
|
| 51-34-3
|
S040+
|
KOX00865p
|
Scopolamine
|
| 50-67-9
|
S041+
|
KOX00866p
|
Serotonin
|
| 2447-54-3
|
S042+
|
KOX00867p
|
Sanguinarine
|
| 1695-77-8
|
S044+
|
KOX00868p
|
Specitinomycin
|
| 38194-50-2
|
S054+
|
KOX00869p
|
Sulindac
|
| 614-35-7
|
S058+
|
KOX00870p
|
Synephrine
|
| 51-67-2
|
T008+
|
KOX00872p
|
Tyramine
|
| 112-24-3
|
T021+
|
KOX00873p
|
Trientine
|
| 102-71-6
|
T022+
|
KOX00874p
|
Triethanolamine
|
| 120-29-6
|
T024+
|
KOX00875p
|
Tropine
|
| 83-67-0
|
T027+
|
KOX00876p
|
Theobromine
|
|
|
T028+
|
KOX00877p
|
Thiabendazole
|
|
|
T030+
|
KOX00878p
|
Tolazoline
|
| 61-54-1
|
T031+
|
KOX00879p
|
Tryptamine
|
| 1080-06-4
|
T032+
|
KOX00880p
|
Tyrosine methyl ester
|
| 738-70-5
|
T033+
|
KOX00881p
|
Trimethoprim
|
| 10097-84-4
|
T041+
|
KOX00882p
|
Tetrahydropalmatine
|
| 26171-23-3
|
T044+
|
KOX00883p
|
Tolmetin
|
| 1184-78-7
|
T051+
|
KOX00884p
|
Trimethylamine N-oxide
|
| 676-84-6
|
T058+
|
KOX00885p
|
Trimethylsulfonium
|
| 535-83-1
|
T060+
|
KOX00886p
|
Trigonelline
|
| 532-24-1
|
T061+
|
KOX00887p
|
Tropinone
|
|
|
T098+
|
KOX00888p
|
Timolol
|
| 60207-90-1
|
T108+
|
KOX00889p
|
Tilt (TM)
|
| 117-89-5
|
T122+
|
KOX00890p
|
Trifluoperazine
|
| 65899-73-2
|
T123+
|
KOX00891p
|
Tioconazole
|
|
|
T126+
|
KOX00892p
|
Terbutaline
|
| 58-96-8
|
U006+
|
KOX00893p
|
Uridine
|
| 51235-04-2
|
V020+
|
KOX00894p
|
Velpar
|
| 52-53-9
|
V021+
|
KOX00895p
|
Verapamil
|
| 14331-49-8
|
X012-
|
KOX00896n
|
Xanthopterin
|
| 14331-49-8
|
X012+
|
KOX00897p
|
Xanthopterin
|
| 102-32-9
|
D003-
|
KOX00898n
|
3,4-Dihydroxyphenylacetate
|
|
|
D030-
|
KOX00899n
|
2,6-Diaminoheptanedioate
|
|
|
D030+
|
KOX00900p
|
2,6-Diaminoheptanedioate
|
| 88-21-1
|
M131-
|
KOX00901n
|
Metanilate
|
| 54965-21-8
|
A082+
|
KOX00902p
|
Albendazole
|
| 923-16-0
|
A155+
|
KOX00903p
|
Ala-Ala
|
|
|
A166+
|
KOX00904p
|
Acetohydrazide
|
| 352-21-6
|
A204+
|
KOX00905p
|
4-Amino-3-hydroxybutyrate
|
| 57-03-4
|
G030+
|
KOX00907p
|
Glycerophosphate
|
| 111-26-2
|
H024+
|
KOX00908p
|
Hexylamine
|
| 78-81-9
|
I064+
|
KOX00909p
|
Isobutylamine
|
| 501-75-7
|
M022+
|
KOX00911p
|
1-Methylhistamine
|
| 494-97-3
|
N044+
|
KOX00912p
|
Nornicotine
|
| 289-95-2
|
P042+
|
KOX00913p
|
Pyrimidine
|
| 57-13-6
|
U005+
|
KOX00914p
|
Urea
|
