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deoxycholic acid

CHEBI:CHEBI_28834

Definition

A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.

Chemical Information

Molecular Formula
C24H40O4
Molecular Mass
392.57200
Charge
0
SMILES
[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChI
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey
KXGVEGMKQFWNSR-LLQZFEROSA-N

Alternative Names

  • (3ALPHA,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID
  • (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid
  • 3alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid
  • 3alpha,12alpha-Dihydroxy-5beta-cholanic acid
  • 7alpha-deoxycholic acid
  • Deoxycholic acid
  • desoxycholic acid
  • Desoxycholsaeure

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
PDBeChem:DXC
core#notation
CHEBI:28834

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
PDBeChem:DXC
oboInOwl#hasAlternativeId
CHEBI:42317
oboInOwl#id
CHEBI:28834
core#notation
CHEBI:28834
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_23614
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_85234
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
has_treatment
http://purl.obolibrary.org/obo/DOID_10188
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_23614
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect13601
owl#someValuesFrom
t148469
owl#annotatedSource
t166200