Chemical Compound

Thca-CoA

CAS Registry Number 57458-60-3
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Thca-CoA chemical structure
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
15942872
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@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
CC(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
  • S-TrHCCoenzyme A
  • S-TrHCCoA
  • trihydroxycoprostanoyl-CoA
  • RefChem:1081474
  • Stigmast-4-en-3,6-dion
  • DTXSID701125797
  • SCHEMBL2509838
  • CHEBI:15493
  • 25(S)-trihydroxycoprostanoyl-CoA
  • DTXCID301557314
  • 3,7,12-trihydroxycoprostanoyl-CoA
  • 3a,7a,12a-Trihydroxy-5b-cholestanoate
  • 25(S)-trihydroxycoprostanoyl-Coenzyme A
  • 3,7,12-Trihydroxycholestan-26-oyl-coa
  • 3,7,12-Trihydroxy-5beta-cholestanoyl-CoA
  • 3a,7a,12a-Trihydroxy-5b-cholestanoic acid
  • 3a,7a,12a-Trihydroxy-5b-cholestanoyl CoA
  • 3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA
  • NS00123524
  • 3a,7a,12a-Trihydroxy-5b-cholestan-26-oyl-CoA
  • 3alpha,7alpha,12alpha-trihydroxycoprostanoyl-CoA
  • 3a,7a,12a-Trihydroxy-5b-cholestanoyl Coenzyme A
  • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA
  • 3|A,7|A,12|A-trihydroxy-5|A-cholestan-26-oyl-CoA
  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
  • Q27089476
  • 3a,7a,12a-Trihydroxy-5b-cholestan-26-oyl-Coenzyme A
  • 57458-60-3
  • 3-alpha,7-alpha,12-alpha-trihydroxy-5-beta- cholanoyl-CoA
  • 3a,7a,12a-Trihydroxy-5b-cholestanoic acid coenzyme A ester
  • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-
  • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA(S)
  • 25(S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA
  • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-Coenzyme A
  • (25R)-3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholestanoyl-CoA
  • 25(S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
  • 25(S)-5beta-cholestane-3alpha,7alpha,12alpha-triol-26-oyl-CoA
  • 3-alpha,7-alpha,12-alpha-trihydroxy-5-beta- cholanoyl-Coenzyme A
  • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-coenzyme A
  • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-Coenzyme A(S)
  • S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl)-coenzyme
  • S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl)-coenzyme A
  • (25R)-3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholestan-26-oyl-CoA
  • (25R)-3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholestanoyl-Coenzyme A
  • 25(S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-Coenzyme A
  • 25(S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-Coenzyme A
  • 25(S)-5beta-cholestane-3alpha,7alpha,12alpha-triol-26-oyl-Coenzyme A
  • S-(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-26-thioate
  • (25R)-3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholestan-26-oyl-Coenzyme A
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(6R)-2-methyl-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]heptanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
  • Cholestane-26-thioic acid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3alpha,5beta,7alpha,12alpha)-
  • Cholestane-26-thioic acid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3I+/-,5I(2),7I+/-,12I+/-)-
  • S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (6R)-2-methyl-6-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]heptanethioate