Chemical Compound

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[3-(1H-indol-3-yl)prop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

CAS Registry Number 144319-98-2
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-3-({2-[(2-{[3-(1H-indol-3-yl)prop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]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-3-({2-[(2-{[3-(1H-indol-3-yl)prop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

库存
2,258 克
纯度
98.8 %
CAS
144319-98-2

化合物标识与属性

CAS
144319-98-2
PubChem CID
6449959
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=CNC5=CC=CC=C54)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/c1c[nH]c2ccccc12

名称与同义词

  • IACoA
  • 3-Indoleacryloyl-coa
  • 3-Indoleacryloyl-coenzyme A
  • Coenzyme A, 3-indoleacryloyl
  • RefChem:911434
  • AC1O6AF5
  • trans-3-Indoleacryloyl-coenzyme A
  • 3-(indol-3-yl)acryloyl-CoA
  • DTXSID101347969
  • orb3022224
  • C32H43N8O17P3S
  • DTXCID901776714
  • CID6449959
  • 144319-98-2
  • C32-H43-N8-O17-P3-S
  • J952.423A
  • S-[3-(1H-Indole-3-yl)acryloyl]coenzyme A
  • 3-Indoleacryloyl-CoA; (Acyl-CoA); [M+H]+;
  • C22207
  • Coenzyme A, 3-(3-(1H-indol-3-yl)-2-propenoate), (E)-
  • 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-(1H-indol-3-yl)prop-2-enethioate
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[3-(1H-indol-3-yl)prop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-[[3-(1H-indole-3-yl)acryloyl]thio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester