Chemical Compound

3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-2-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}

CAS Registry Number 6247-62-7
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-2-methylbut-2-enoyl]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-{[(2E)-2-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}

库存
9,363 克
纯度
98.3 %
CAS
6247-62-7

化合物标识与属性

CAS
6247-62-7
PubChem CID
45266534
SMILES
C/C=C(\C)/C(=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
C/C=C(\C)C(=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

  • tigloyl-CoA
  • tiglyl-CoA
  • methylcrotonyl-CoA
  • 2-methylbut-2-enoyl-CoA
  • 2-methylcrotonoyl-CoA(4-)
  • (E)-2-Methylcrotonoyl-CoA
  • 2-methylbut-2-enoyl-CoA(4-)
  • 2-METHYL-CROTONYL-COA
  • trans-2-methylbut-2-enoyl-CoA
  • (E)-2-methylbut-2-enoyl-CoA
  • CHEBI:57260
  • CHEBI:57337
  • (2E)-2-methylbut-2-enoyl-CoA
  • Q27124437
  • 3'-phosphonatoadenosine 5'-[3-(3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl) diphosphate]
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-2-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
  • 6247-62-7