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cholate

CHEBI:CHEBI_29747

Definition

A bile acid anion that is the conjugate base of cholic acid.

Chemical Information

Molecular Formula
C24H39O5
Molecular Mass
407.56346
Charge
-1
SMILES
[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O
InChI
InChI=1S/C24H40O5/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/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey
BHQCQFFYRZLCQQ-OELDTZBJSA-M

Alternative Names

  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate
  • cholate

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:3915750
core#notation
CHEBI:29747

Additional References

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Reaxys:3915750
oboInOwl#hasAlternativeId
CHEBI:57748
oboInOwl#id
CHEBI:29747
core#notation
CHEBI:29747
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_16359
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_77746
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_16359
owl#someValuesFrom
t122692
owl#annotatedSource
t173228