Chemical Compound

3-Hydroxy-2-methylhexanoyl-CoA

CAS Registry Number 177261-59-5
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3-Hydroxy-2-methylhexanoyl-CoA chemical structure
Primary Record

3-Hydroxy-2-methylhexanoyl-CoA

In stock
5,498 g
Purity
98.8 %
CAS
177261-59-5

Compound Identifiers & Properties

CAS
177261-59-5
PubChem CID
9543278
SMILES
CCCC(C(C)C(=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)O
Canonical SMILES
CCCC(O)C(C)C(=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

  • 3-Hydroxy-2-methylhexanoyl-CoA
  • orb3022170
  • SCHEMBL3200474
  • c0839
  • CID9543278
  • 3-Hydroxy-2-methylhexanoyl-CoA; (Acyl-CoA); [M+H]+;
  • 177261-59-5