Primary Record
Thca-CoA
- In stock
- 5,376 g
- Purity
- 98.3 %
- CAS
- 57458-60-3
Compound Identifiers & Properties
- CAS
- 57458-60-3
- PubChem CID
- 3081513
- SMILES
- C[C@H](CCCC(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(C[C@H]6[C@H]5C(CC7[C@@]6(CCC(C7)O)C)O)O)C
- Canonical SMILES
- CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(O)CC4CC(O)CC[C@]4(C)[C@H]3CC(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
- AC1MIX2K
- RefChem:910763
- 3,7,12-Trihydroxy-5beta-cholestanoyl-CoA
- SCHEMBL29720369
- 3,7,12-Trihydroxycholestan-26-oyl-coa
- CID3081513
- C15613
- 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-coenzyme A
- 57458-60-3
- S-(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-26-thioate
- 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] (6R)-2-methyl-6-[(8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanethioate
- 3alpha,7alpha,12alpha-trihydroxy-5 beta-cholestan-26-oyl-coenzyme A
- Cholestane-26-thioic acid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3alpha,5beta,7alpha,12alpha)-