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Ursodeoxycholate

CHEBI:CHEBI_78604

Definition

A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Chemical Information

Molecular Formula
C24H39O4
Molecular Mass
391.56460
Charge
-1
SMILES
C[C@H](CCC([O-])=O)[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]3CC[C@]12C
InChI
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
InChIKey
RUDATBOHQWOJDD-UZVSRGJWSA-M

Alternative Names

  • (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate
  • ursodeoxycholate

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
62427
core#notation
CHEBI:78604
oboInOwl#hasDbXref
Reaxys:5305486

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
62427
oboInOwl#id
CHEBI:78604
core#notation
CHEBI:78604
oboInOwl#hasDbXref
Reaxys:5305486
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_77746
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_9907
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect35123
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_9907
owl#annotatedSource
t300636
owl#someValuesFrom
t1019802