Name: 20-Methyl-3-oxopregna-4,17-dien-21-oyl-CoA
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619096
Cas No:916833-66-4
常用名:20-Methyl-3-oxopregna-4,17-dien-21-oyl-CoA
常用名:20-Methyl-3-oxopregna-4,17-dien-21-oyl-CoA
别名:20-Methyl-3-oxopregna-4,17-dien-21-oyl-coenzyme A
别名:20-Methyl-3-oxopregna-4,17-dien-21-oyl-coenzyme A
IUPAC:{[(2R,3S,4R,5R)-2-({[({[(3R)-3-[(2-{[2-({2-[(3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ylidene]propanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
IUPAC:{[(2R,3S,4R,5R)-2-({[({[(3R)-3-[(2-{[2-({2-[(3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ylidene]propanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
InChI key:InChIKey=UCGYLLKGKGOQIG-ALDOYEBZSA-N

分子式:C43H64N7O18P3S
分子量:1092
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCC(=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)n3cnc4c(N)ncnc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
SMILES:[H][C@@]12CCC(=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)n3cnc4c(N)ncnc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

20-Methyl-3-oxopregna-4,17-dien-21-oyl-CoA (20-Methyl-3-oxopregna-4,17-dien-21-oyl-coenzyme A) 属于甾体酰辅酶 A。

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