HIT ID: HIT218852358
Cas No: 200393-05-1
分子式: C19H32N6O11S3
分子量: 616.68
常用名: S-Adenosyl-L-methionine (1,4-butanedisulfonate)
常用名: S-Adenosyl-L-methionine (1,4-butanedisulfonate)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: butane-1,4-disulfonic acid (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(methyl)sulfaniumyl)butanoate
IUPAC: butane-1,4-disulfonic acid (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(methyl)sulfaniumyl)butanoate
SMILES: OS(=O)(=O)CCCCS(O)(=O)=O.C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
SMILES: OS(=O)(=O)CCCCS(O)(=O)=O.C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
InChI key: TYXBLACMHQBEEW-XKGORWRGSA-N
