Chemical Compound

RefChem:109077

RefChem:109077 chemical structure
Primary Record

RefChem:109077

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
70678618
SMILES
CC(=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[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O)O
Canonical SMILES
CC(=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]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)[C@@H]1O

Names & Synonyms

  • RefChem:109077
  • CHEBI:65343
  • acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA
  • LMFA07050280
  • acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-coenzyme A
  • Q27133792
  • 2'-(5-phospho-D-ribofuranosyl)adenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
  • 2'-(5-phospho-D-ribofuranosyl)adenosine 5'-(3-((3R)-4-((3-((2-(acetylsulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)