Chemical Compound

S-2-(indol-3-yl)acetyl-CoA

S-2-(indol-3-yl)acetyl-CoA chemical structure
Primary Record

S-2-(indol-3-yl)acetyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
5461145
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(C(=O)NCCC(=O)NCCSC(=O)CC4=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(O)C(=O)NCCC(=O)NCCSC(=O)Cc1c[nH]c2ccccc12

Names & Synonyms

  • S-2-(indol-3-yl)acetyl-CoA
  • AC1NUU8K
  • CHEBI:79972
  • CID5461145
  • J2.076.560G
  • C15489
  • Q27149140
  • S-2-(indol-3-yl)acetyl-CoA; (Acyl-CoA); [M+H]+;
  • S-[2-[3-[[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-(1H-indol-3-yl)ethanethioate
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[2-(1H-indol-3-yl)acetyl]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 P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(1H-indole-3-yl-acetylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[2-(1H-indole-3-yl)acetyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester