Chemical Compound

2-Butynoyl-coenzyme A

CAS Registry Number 6244-99-1
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2-Butynoyl-coenzyme A chemical structure
Primary Record

2-Butynoyl-coenzyme A

In stock
4,479 g
Purity
98.6 %
CAS
6244-99-1

Compound Identifiers & Properties

CAS
6244-99-1
PubChem CID
165437
SMILES
CC#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)OP(=O)(O)O)O
Canonical SMILES
CC#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]1OP(=O)(O)O

Names & Synonyms

  • 2-Butynoyl-coenzyme A
  • 2-Butynoyl-coa
  • Coenzyme A, butynoyl-
  • Coenzyme A, S-2-butynoate
  • RefChem:909701
  • AC1L4WP0
  • DTXSID10978009
  • AR-1L3762
  • CID165437
  • 2-Butynoyl-CoA; (Acyl-CoA); [M+H]+;
  • 6244-99-1
  • S-[2-[3-[[(2R)-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] but-2-ynethioate
  • 5'-O-[({[(3R)-4-{[3-({2-[(But-2-ynoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
  • 670-65-5
  • 9-{5-O-[{[(4-{[3-({2-[(But-2-ynoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
  • s-{(9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3|E5,5|E5-diphosphaheptadecan-17-yl} but-2-ynethioate(non-preferred name)