Chemical Compound

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] 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbothioate

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] 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbothioate 结构式
Primary record

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] 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbothioate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
9543316
SMILES
CC(=C)C1CCC(C(C1)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O
Canonical SMILES
C=C(C)C1CCC(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)C(O)C1

名称与同义词

  • CHEBI:29473
  • 2-hydroxy-4-isopropenylcyclohexane-1-carbonyl-CoA
  • 2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA
  • c0893
  • LMFA07050178
  • CID9543316
  • 2-hydroxy-4-isopropenylcyclohexane-1-carbonyl-coenzyme A
  • 2-hydroxy-4-isopropenylcyclohexane-1-carboxyl-coenzyme A
  • C11934
  • CHEBI:29473; (Acyl-CoA); [M+H]+;
  • Q27110091
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[2-hydroxy-4-(prop-1-en-2-yl)cyclohexane-1-carbonyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • 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] 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbothioate