Name: DL-β-Hydroxybutyryl coenzyme A lithium
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT220912199
Cas No:
常用名:DL-β-Hydroxybutyryl coenzyme A lithium
常用名:DL-β-Hydroxybutyryl coenzyme A lithium
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 lithium
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 lithium
InChI key:InChIKey=HNPHARRBSFXZAL-OYYTWQJGSA-N

分子式:C25H42LiN7O18P3S
分子量:860.56
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Li].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
SMILES:[Li].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

DL-β-Hydroxybutyryl coenzyme A lithium，是丁酸发酵以及赖氨酸和色氨酸代谢过程中的中间体，通过β-羟基丁酸经短链-CoA 合成酶作用生成。

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