Mol:BMSUM6Ne--06
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 23 0 0 1 0 0 0 0 0999 V2000 4.5981 0.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 -0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 -1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8170 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 5.9641 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6830 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 7.5622 -2.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 18 1 6 0 0 0 5 4 1 0 0 0 0 4 3 1 0 0 0 0 3 2 1 0 0 0 0 2 1 1 0 0 0 0 1 18 1 0 0 0 0 5 6 1 0 0 0 0 1 10 1 4 0 0 0 3 16 1 6 0 0 0 4 17 1 1 0 0 0 2 7 1 1 0 0 0 6 19 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 7 8 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 11 13 1 0 0 0 0 21 20 1 0 0 0 0 20 23 2 0 0 0 0 20 22 1 0 0 0 0 20 19 1 0 0 0 0 S SKP 7 ID BMSUM6Ne--06 NAME N-Acetyl-D-glucosamine 1,6-bisphosphate FORMULA C8H17NO12P2 EXACTMASS 381.0225 AVERAGEMASS 381.1676 SMILES CC(=O)N[C@H]([C@@H](O)1)C(O[C@H](COP(O)(O)=O)[C@@H](O)1)OP(O)(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04461 M END