Chemical Compound

Act-CoA

CAS Registry Number 121368-75-0
Act-CoA chemical structure
Primary Record

Act-CoA

In stock
4,802 g
Purity
99.4 %
CAS
121368-75-0

Compound Identifiers & Properties

CAS
121368-75-0
PubChem CID
3035921
SMILES
CCCCC([C@@H](C(=O)O)NC(=O)CCC1=CC(=C(C=C1)N=[N+]=[N-])I)SSCCNC(=O)CCNC(=O)[C@H](O)P(=O)(O)OOP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O
Canonical SMILES
CCCCC(SSCCNC(=O)CCNC(=O)[C@H](O)P(=O)(O)OOP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](NC(=O)CCc1ccc(N=[N+]=[N-])c(I)c1)C(=O)O

Names & Synonyms

  • Act-CoA
  • RefChem:161965
  • AC1MI08A
  • C33H47IN11O19P3S2
  • CID3035921
  • 121368-75-0
  • C33-H47-I-N11-O19-P3-S2
  • N-(3-Iodo-4-azidophenylpropionamido)cysteinyl-5-(2'-thiopyridyl)cysteine-coenzyme A
  • Coenzyme A, N-(3-iodo-4-azidophenylpropionamido)cysteinyl-5-(2'-thiopyridyl)cysteine-
  • (2R)-3-[2-[3-[[(2R)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]peroxy-hydroxyphosphoryl]-2-hydroxyacetyl]amino]propanoylamino]ethyldisulfanyl]-2-[3-(4-azido-3-iodophenyl)propanoylamino]heptanoic acid
  • N-(3-iodo-4-azidophenylpropionamido)cysteinyl-5-(2/'-thiopyridyl)cysteine-coenzyme A
  • (2R)-3-[2-[3-[[(2R)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]peroxy-hydroxyphosphoryl]-2-hydroxyacetyl]amino]propanoylamino]ethyldisulfanyl]-2-[3-(4-azido-3-iodophenyl)propanoylamino]heptanoic
  • L-Alanine, N-(3-(4-azido-3-iodophenyl)-1-oxopropyl)-3-((9,13-dihydroxy-10,10-dimethyl-4,8-dioxo-13-((3'-O-phosphono-5'-adenylyl)oxy)-12-oxa-3,7-diaza-13-phosphatridec-1-yl)dithio)-, P-oxide, (R)-