Chemical Compound

Ethyl-coenzyme A

CAS Registry Number 70019-68-0
Ethyl-coenzyme A chemical structure
Primary Record

Ethyl-coenzyme A

In stock
6,573 g
Purity
98.3 %
CAS
70019-68-0

Compound Identifiers & Properties

CAS
70019-68-0
PubChem CID
191927
SMILES
CCSCCNC(=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)OP(=O)(O)O)O
Canonical SMILES
CCSCCNC(=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

  • Ethyl-coenzyme A
  • S-Ethyl-coa
  • S-Ethyl-coenzyme A
  • Coenzyme A, S-ethyl-
  • RefChem:921308
  • AC1L4TF0
  • SCHEMBL29423878
  • S-Ethyl-Coenzym A, Sodium salt
  • DTXSID70990262
  • KST-1A8810
  • AR-1A8176
  • CID191927
  • Ethyl-coenzyme A; (Acyl-CoA); [M+H]+;
  • 70019-68-0
  • N0001-005371
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(2-ethylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl(3r)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate(non-preferred name)
  • 90390-20-8
  • 5'-O-[{[{(3R)-4-[(3-{[2-(Ethylsulfanyl)ethyl]imino}-3-hydroxypropyl)imino]-3,4-dihydroxy-2,2-dimethylbutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
  • 9-{5-O-[{[{4-[(3-{[2-(Ethylsulfanyl)ethyl]imino}-3-hydroxypropyl)imino]-3,4-dihydroxy-2,2-dimethylbutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
  • A2U