Chemical Compound

CoA-S-N-Acetyltryptamine

CoA-S-N-Acetyltryptamine chemical structure
Primary Record

CoA-S-N-Acetyltryptamine

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
102302659
SMILES
CC(=O)N(CCC1=CNC2=CC=CC=C21)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)(O)O)O
Canonical SMILES
CC(=O)N(CCc1c[nH]c2ccccc12)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

Names & Synonyms

  • CoA-S-N-Acetyltryptamine
  • J1.654.454J
  • S-[N-[2-(1H-Indole-3-yl)ethyl]acetylamino]coenzyme A
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-[(2-{[2-({N-[2-(1H-indol-3-yl)ethyl]acetamido}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid