Name: 2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA
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结构编辑

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HIT ID:HIT219619324
Cas No:958766-66-0
常用名:2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA
常用名:2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA
别名:2-Hydroxy-6-oxocyclohexane-1-carbonyl-coenzyme A
别名:2-Hydroxy-6-oxocyclohexane-1-carbonyl-coenzyme A
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-[(2-{[2-(2-hydroxy-6-oxocyclohexanecarbonylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-[(2-{[2-(2-hydroxy-6-oxocyclohexanecarbonylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
InChI key:InChIKey=XUJOIUADEGVEIA-SOAMHPODSA-N

分子式:C28H44N7O19P3S
分子量:907.67
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1C(O)CCCC1=O
SMILES:CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1C(O)CCCC1=O

2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA (2-Hydroxy-6-oxocyclohexane-1-carbonyl-coenzyme A) 是一种 3-氧代酰基辅酶 A。

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