Name: (6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219599862
Cas No:676656-93-2
常用名:(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA
常用名:(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA
别名:(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-coenzyme A
别名:(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-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-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoylsulfanyl]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-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
InChI key:KRIFZIRXAAITHR-KWFBMMABSA-N

分子式:C45H70N7O17P3S
分子量:1106.07
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
SMILES:CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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

(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA ((6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-coenzyme A) 是一种NLRX1的调节剂，其潜力在于用于免疫和代谢相关疾病的研究。

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