Name: 2,6-Dihydroxycyclohexane-1-carbonyl-CoA
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619112
Cas No:1246035-60-8
常用名:2,6-Dihydroxycyclohexane-1-carbonyl-CoA
常用名:2,6-Dihydroxycyclohexane-1-carbonyl-CoA
别名:2,6-Dihydroxycyclohexane-1-carbonyl-coenzyme A
别名:2,6-Dihydroxycyclohexane-1-carbonyl-coenzyme A
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(2,6-dihydroxycyclohexanecarbonylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(2,6-dihydroxycyclohexanecarbonylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
InChI key:InChIKey=IDVOAQDDLQQSLO-CXCAYBSSSA-N

分子式:C28H46N7O19P3S
分子量:909.69
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)CCCC1O
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)CCCC1O

2,6-Dihydroxycyclohexane-1-carbonyl-CoA (2,6-Dihydroxycyclohexane-1-carbonyl-coenzyme A) 是一种酰基辅酶 A。

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