BMFYS2ESa001
From Metabolomics.JP
| Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMFY Fatty acyl 脂肪酸 : BMFYS straight chain 鎖状 (290 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 72-89-9 |
| KEGG | C00024 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMFYS2ESa001.mol |
| Acetyl-CoA | |
|---|---|
| |
| Structural Information | |
| Systematic Name | S- [2- [3- [ [ (2R) -4- [ [ [ (2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] ethanethioate |
| Common Name |
|
| Symbol | |
| Formula | C23H38N7O17P3S |
| Exact Mass | 809.1257 |
| Average Mass | 809.572 |
| SMILES | C(CNC(CCNC([C@H](O)C(C)(C)COP(OP(OC[C@@H](O1)[C@@H |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
- CoA ⇔ this
- (2S) -4- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethylsulfanyl] -2-hydroxy-2-methyl-4-oxobutanoic acid ⇔ this (2nd)
- (3S) -Citryl-CoA ⇔ this (2nd)
- (R) -2-Ethyl-2-hydroxybutanedioic acid ⇔ this
- 2-Hydroxy-2-propan-2-ylbutanedioic acid ⇔ this
- S- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino]propanoylamino] ethyl] 2-methyl-3-oxobutanethioic acid ⇔ this
- (S) -3-Hydroxy-3-methyl-glutaryl-CoA ⇔ this
- 2-Hydroxy-propane-1,2,3-tricarboxylic acid ⇔ this (2nd)
- Acetaldehyde ⇔ this
- Acetic acid ⇔ this (2nd)
- this ⇔ N-Acetyl-D-phenylalanine
- this ⇔ N-Acetyl-L-phenylalanine
- this ⇔ O-Acetyl-L-serine
- this ⇔ (2S) -2-Acetamidobutanedioic acid
- this ⇔ O-Acetyl-L-homoserine
- this ⇔ (2S) -2-Acetamidopentanedioic acid
- this ⇔ N6-Acetyl-L-lysine
- this ⇔ N6-Acetyl-N6-hydroxy-L-lysine
- this ⇔ N- [2- (5-Hydroxy-1H-indol-3-yl) ethyl] acetamide
- this ⇔ Acetyl-choline
- this ⇔ N-Acetyl-putrescine
- this ⇔ (2S) -4- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethylsulfanyl] -2-hydroxy-2-methyl-4-oxobutanoic acid
- this ⇔ (3S) -Citryl-CoA
- this ⇔ O-Acetyl-L-carnitine
- this ⇔ 2-Hydroxy-propane-1,2,3-tricarboxylic acid
- this ⇔ Homocitric acid
- this ⇔ S- (8-Amino-8-oxo-1-sulfanyloctan-3-yl) ethanethioic acid
- this ⇔ Acetic acid
- this ⇔ Acetyl phosphate
- this ⇔ Malonyl-CoA
- this ⇔ Propanoyl-CoA
- this ⇔ S- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] 2-hydroxypropanethioic acid
- this ⇔ Butanoic acid
- this ⇔ 2-Amino-3-oxobutanoic acid
- this ⇔ S- [2- [3- [ [ (2R) -4- [ [ [ (2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] 3-oxobutanethioate
- this ⇔ S- [2- [3- [ [ (2R) -4- [ [ [ (2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] 3-oxobutanethioate (2nd)
- this ⇔ Butanoyl-CoA
- this ⇔ Butanoyl-CoA (2nd)
- this ⇔ 2-Amino-4-oxo-pentanoic acid
- this ⇔ Anilino acetate
- this ⇔ 4- (Acetyl-aminoethyl) -imidazole
- this ⇔ Acetyl-maltose
- this ⇔ N-Acetyl-D-glucosamine 1-phosphate
- this ⇔ [ (2R,3S,4R,5R) -5-Acetamido-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate
- this ⇔ N- [ (2R,3R,4R,5S,6R) -2,4,5-Trihydroxy-6- (hydroxymethyl) oxan-3-yl] acetamide
- Malonyl-CoA ⇔ this (2nd)
- 2-Oxo-propanoic acid ⇔ this
- Malonate semialdehyde ⇔ this
- (2S) -4- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3- dimethylbutanoyl] amino] propanoylamino] ethylsulfanyl] -2-hydroxy-4-oxobutanoic acid ⇔ this
- (S) -Malic acid ⇔ this
- S- [2- [3- [ [ (2R) -4- [ [ [ (2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] 3-oxobutanethioate ⇔ this (3rd)
- S- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] pentanethioic acid ⇔ this
- 3-Oxo-adipyl-CoA ⇔ this
- S- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] 3-oxo-3-phenylpropanethioic acid ⇔ this
- Ethylene oxide ⇔ this
- EC1.2.1.10
- EC1.2.1.18
- EC1.2.1.27
- EC1.2.1.51
- EC1.2.3.6
- EC1.2.7.1
- EC2.3.1.1
- EC2.3.1.102
- EC2.3.1.118
- EC2.3.1.12
- EC2.3.1.157
- EC2.3.1.16
- EC2.3.1.29
- EC2.3.1.3
- EC2.3.1.30
- EC2.3.1.31
- EC2.3.1.36
- EC2.3.1.4
- EC2.3.1.53
- EC2.3.1.54
- EC2.3.1.57
- EC2.3.1.6
- EC2.3.1.7
- EC2.3.1.79
- EC2.3.1.8
- EC2.3.1.85
- EC2.3.1.86
- EC2.3.1.87
- EC2.3.1.9
- EC2.3.3.1
- EC2.3.3.10
- EC2.3.3.13
- EC2.3.3.14
- EC2.3.3.6
- EC2.3.3.8
- EC2.3.3.9
- EC2.8.3.1
- EC2.8.3.10
- EC2.8.3.11
- EC2.8.3.3
- EC2.8.3.8
- EC3.1.2.1
- EC4.1.1.9
- EC4.1.3.24
- EC4.1.3.25
- EC4.1.3.34
- EC4.1.3.4
- EC6.2.1.1
- EC6.2.1.13
- EC6.4.1.2
