Chemical Compound

4-((((((5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-N-(2-((2-((3-hydroxyoctadecanoyl)sulfanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)-3,3-dimethylbutanimidic acid

CAS Registry Number 1246036-79-2
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4-((((((5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-N-(2-((2-((3-hydroxyoctadecanoyl)sulfanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)-3,3-dimethylbutanimidic acid 结构式
Primary record

4-((((((5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-N-(2-((2-((3-hydroxyoctadecanoyl)sulfanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)-3,3-dimethylbutanimidic acid

库存
1,352 克
纯度
99.1 %
CAS
1246036-79-2

化合物标识与属性

CAS
1246036-79-2
PubChem CID
24906334
SMILES
CCCCCCCCCCCCCCC[C@@H](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)O
Canonical SMILES
CCCCCCCCCCCCCCC[C@H](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

  • (S)-3-hydroxyoctadecanoyl-CoA
  • (S)-3-hydroxystearoyl-CoA
  • RefChem:70421
  • 3S-hydroxyoctadecanoyl-CoA
  • CHEBI:50577
  • orb3022296
  • SCHEMBL2929596
  • LMFA07050159
  • Q27122126
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyoctadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • 1246036-79-2
  • 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-4-((3-((2-(((3S)-3-hydroxyoctadecanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)
  • 4-((((((5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-N-(2-((2-((3-hydroxyoctadecanoyl)sulfanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)-3,3-dimethylbutanimidic acid
  • 4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-[2-({2-[(3-hydroxyoctadecanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-3,3-dimethylbutanimidic acid
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxyoctadecanethioate