HIT ID: HIT218697468

Cas No: 2871-66-1

分子式: C25H42N7O18P3S

分子量: 853.62

常用名: S-(3-hydroxybutyryl)-coa, 3-Hydroxybutyryl-CoA

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(3-hydroxybutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

SMILES: CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

InChI key: QHHKKMYHDBRONY-RMNRSTNRSA-N