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3,7,12-trioxo-5beta-cholanic acid

CHEBI:CHEBI_31459

Definition

An oxo-5beta-cholanic acid in which three oxo substituents are located at positions 3, 7 and 12 on the cholanic acid skeleton.

Chemical Information

Molecular Formula
C24H34O5
Molecular Mass
402.52376
Charge
0
SMILES
[H][C@@]12CC(=O)CC[C@]1(C)[C@@]1([H])CC(=O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])C(=O)C2)[C@H](C)CCC(O)=O
InChI
InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
InChIKey
OHXPGWPVLFPUSM-KLRNGDHRSA-N

Alternative Names

  • 3,7,12-Triketo-5beta-cholanoic acid
  • 3,7,12-triketocholanic acid
  • 3,7,12-trioxo-5beta-cholan-24-oic acid
  • 3,7,12-trioxo-5beta-cholanic acid
  • 3,7,12-trioxocholanic acid
  • Decholin
  • Dehydrocholic acid

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
Reaxys:3226734
core#notation
CHEBI:31459

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Reaxys:3226734
oboInOwl#id
CHEBI:31459
core#notation
CHEBI:31459
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_55324
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_137881
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_137881
owl#someValuesFrom
t108436
owl#annotatedSource
t180314