Chemical Compound

{[(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-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

CAS Registry Number 76109-04-1
返回搜索 申请报价
{[(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-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid 结构式
Primary record

{[(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-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

库存
6,213 克
纯度
99.2 %
CAS
76109-04-1

化合物标识与属性

CAS
76109-04-1
PubChem CID
6444037
SMILES
CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC=CC=C4)O
Canonical SMILES
CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/c1ccccc1

名称与同义词

  • Cinnamoyl-coa
  • Cinnamoyl-coenzyme A
  • benzylideneacetyl-CoA
  • (E)-cinnamoyl-CoA
  • 3-phenylacryloyl-CoA
  • Cinnamoyl CoA
  • beta-phenylacryloyl-CoA
  • benzylideneacetyl-coenzyme A
  • 3-phenylacryloyl-coenzyme A
  • 6YVQ9P5RAT
  • Coenzyme A, cinnamoyl-
  • beta-phenylacryloyl-coenzyme A
  • S-(Cinnamoyl)coenzyme A
  • 3-phenylprop-2-enoyl-coenzyme A
  • UNII-6YVQ9P5RAT
  • RefChem:1081886
  • S-(Cinnamoyl) coenzyme A
  • 3-Phenyl-2E-propenoyl-CoA
  • CHEBI:15463
  • 76109-04-1
  • AC1O605L
  • DTXSID501030398
  • SCHEMBL2207400
  • CHEBI:10956
  • DTXCID501515489
  • LMFA07050294
  • Coenzyme A,S-[(2E)-3-phenyl-2-propenoate]
  • CID6444037
  • Coenzyme A, S-(3-phenyl-2-propenoate), (E)-
  • J1.050.827D
  • C00540
  • C16256
  • COENZYME A, S-(3-PHENYL-2-PROPENOATE)
  • Coenzyme A, S-[(2E)-3-phenyl-2-propenoate]
  • Q2972823
  • COENZYME A, S-((2E)-3-PHENYL-2-PROPENOATE)
  • 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] (E)-3-phenylprop-2-enethioate
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-phenylprop-2-enoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
  • {[(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-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-((3-phenylprop-2-enoyl)sulfanyl)ethyl)amino)propyl)amino)butyl) dihydrogen diphosphate)
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-(cinnamoylthio)ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
  • 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) (E)-3-phenylprop-2-enethioate
  • 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)(E)-3-PHENYLPROP-2-ENETHIOATE
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-phenylprop-2-enethioate