Name: (9Z,12Z)-Hexadeca-9,12,15-trienoyl-CoA
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219618838
Cas No:603954-78-5
常用名:(9Z,12Z)-Hexadeca-9,12,15-trienoyl-CoA
常用名:(9Z,12Z)-Hexadeca-9,12,15-trienoyl-CoA
别名:(9Z,12Z)-Hexadeca-9,12,15-trienoyl-coenzyme A
别名:(9Z,12Z)-Hexadeca-9,12,15-trienoyl-coenzyme A
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(9Z,12Z)-hexadeca-9,12,15-trienoylsulfanyl]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-[(9Z,12Z)-hexadeca-9,12,15-trienoylsulfanyl]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=JDKLSTJMXDRYAJ-PCRJDALTSA-N

分子式:C37H60N7O17P3S
分子量:999.9
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)CCCCCCC\C=C/C\C=C/CC=C
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)CCCCCCC\C=C/C\C=C/CC=C

(9Z,12Z)-Hexadeca-9,12,15-trienoyl-CoA ((9Z,12Z)-Hexadeca-9,12,15-trienoyl-coenzyme A) 是一种不饱和脂肪酰辅酶 A。

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