Name: 3-(Epoxymethylene)dodecanoyl-CoA
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219618840
Cas No:134764-31-1
常用名:3-(Epoxymethylene)dodecanoyl-CoA
常用名:3-(Epoxymethylene)dodecanoyl-CoA
别名:3-(Epoxymethylene)dodecanoyl coenzyme A
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[2-(2-nonyloxiran-2-yl)acetyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]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-2,2-dimethyl-3-({2-[(2-{[2-(2-nonyloxiran-2-yl)acetyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
InChI key:InChIKey=USGVFYILKBJJQD-NLOAPRJTSA-N

分子式:C34H58N7O18P3S
分子量:977.85
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCCCCCCCC1(CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)CO1
SMILES:CCCCCCCCCC1(CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)CO1

3-(Epoxymethylene)dodecanoyl-CoA (3-(Epoxymethylene)dodecanoyl coenzyme A) 是辅酶 A 的一种衍生物。

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