Chemical Compound

beta-Methylcrotonyl Coenzyme A

CAS Registry Number 108347-83-7
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beta-Methylcrotonyl Coenzyme A chemical structure
Primary Record

beta-Methylcrotonyl Coenzyme A

In stock
4,170 g
Purity
99.2 %
CAS
108347-83-7

Compound Identifiers & Properties

CAS
108347-83-7
PubChem CID
133662554
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)C
Canonical SMILES
CC(C)=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

  • beta-Methylcrotonyl Coenzyme A
  • 108347-83-7
  • S-[2-[3-[[(2S)-4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate