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Dehydrocholate

CHEBI:CHEBI_137881

Definition

A cholanic acid anion that is the conjugate base of 3,7,12-trioxo-5beta-cholanic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Chemical Information

Molecular Formula
C24H33O5
Molecular Mass
401.517
Charge
-1
SMILES
C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3(C(C[C@@]2(CC(C1)=O)[H])=O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)=O)[H])C
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)/p-1/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
InChIKey
OHXPGWPVLFPUSM-KLRNGDHRSA-M

Alternative Names

  • (5beta)-3,7,12-trioxocholan-24-oate
  • 3,7,12-trioxo-5beta-cholan-24-oate
  • dehydrocholate

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

DRON_00010000
42625
core#notation
CHEBI:137881
oboInOwl#hasDbXref
PMID:22198717

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
42625
oboInOwl#id
CHEBI:137881
core#notation
CHEBI:137881
oboInOwl#hasDbXref
PMID:22198717
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_31459
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_31459
owl#annotatedSource
t108750
owl#someValuesFrom
t1112582