Chemical Compound

Thca-CoA

Thca-CoA chemical structure
Primary Record

Thca-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
24776369
SMILES
C[C@@H](CCC[C@H](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)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C
Canonical SMILES
C[C@@H](CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)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

  • Thca-CoA
  • (25S)-THC-CoA
  • BDBM21727
  • 3,7,12-Trihydroxycholestan-26-oyl-coa
  • (25S)-THC-CoA; (Acyl-CoA); [M+H]+;
  • 3alpha,7alpha,12alpha-trihydroxy-5 beta-cholestan-26-oyl-coenzyme A