Chemical Compound

3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z)-3-oxooctadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}

3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z)-3-oxooctadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate} 结构式
Primary record

3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z)-3-oxooctadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
71581090
SMILES
CCCCC/C=C\C/C=C\CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O
Canonical SMILES
CCCCC/C=C\C/C=C\CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

名称与同义词

  • CHEBI:74013
  • (9Z,12Z)-3-oxolinoleoyl-CoA(4-)
  • (9Z,12Z)-3-ketolinoleoyl-CoA(4-)
  • 3-Oxo-(9Z,12Z)-Octadecadienoyl-CoA
  • 3-keto-(9Z,12Z)-linoleoyl-CoA(4-)
  • (9Z,12Z)-3-ketolinoleoyl-coenzyme A(4-)
  • (9Z,12Z)-3-oxolinoleoyl-coenzyme A(4-)
  • 3-keto-(9Z,12Z)-octadecadienoyl-CoA(4-)
  • 3-oxo-(9Z,12Z)-octadecadienoyl-CoA(4-)
  • 3-oxo-(9Z,12Z)-linoleoyl-coenzyme A(4-)
  • Q27144332
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z)-3-oxooctadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}