CHEBI:82679 - 7-oxolithocholic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-oxolithocholic acid
Definition A bile acid that is lithocholic acid carrying an additional oxo substituent at position 7.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H38O4
Net Charge 0
Average Mass 390.55610
Monoisotopic Mass 390.27701
InChI InChI=1S/C24H38O4/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/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1
SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-oxolithocholic acid (CHEBI:82679) has functional parent lithocholic acid (CHEBI:16325)
7-oxolithocholic acid (CHEBI:82679) has role human metabolite (CHEBI:77746)
7-oxolithocholic acid (CHEBI:82679) is a 3α-hydroxy steroid (CHEBI:36835)
7-oxolithocholic acid (CHEBI:82679) is a bile acid (CHEBI:3098)
7-oxolithocholic acid (CHEBI:82679) is a monohydroxy-5β-cholanic acid (CHEBI:36260)
7-oxolithocholic acid (CHEBI:82679) is a oxo-5β-cholanic acid (CHEBI:25753)
7-oxolithocholic acid (CHEBI:82679) is conjugate acid of 7-oxolithocholate (CHEBI:78605)
Incoming 7-oxotaurolithocholic acid (CHEBI:138384) has functional parent 7-oxolithocholic acid (CHEBI:82679)
7-oxolithocholate (CHEBI:78605) is conjugate base of 7-oxolithocholic acid (CHEBI:82679)
(3α,5β)-3-hydroxy-7-oxocholan-24-oic acid
Synonyms Sources
3-alpha-Hydroxy-7-oxo-5-beta-cholan-24-oic acid ChemIDplus
3α-hydroxy-7-oxo-5β-cholan-24-oic acid ChEBI
3alpha-Hydroxy-7-oxo-5beta-cholanic acid ChemIDplus
7-Ketolithocholic acid ChemIDplus
7-oxo-3α-hydroxycholan-24-oic acid HMDB
7-oxolithocholic acid ChEBI
Nutriacholic acid HMDB
Manual Xrefs Databases
HMDB0000467 HMDB
View more database links
Registry Numbers Types Sources
3222783 Reaxys Registry Number Reaxys
4651-67-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
13525374 PubMed citation Europe PMC
21453287 PubMed citation Europe PMC
23933573 PubMed citation Europe PMC
2401860 PubMed citation Europe PMC
2811609 PubMed citation Europe PMC
2912152 PubMed citation Europe PMC
3480039 PubMed citation Europe PMC
3943698 PubMed citation Europe PMC
3943699 PubMed citation Europe PMC
4016150 PubMed citation Europe PMC
4063074 PubMed citation Europe PMC
4090568 PubMed citation Europe PMC
520764 PubMed citation Europe PMC
6631218 PubMed citation Europe PMC
7084613 PubMed citation Europe PMC
7380227 PubMed citation Europe PMC
7435569 PubMed citation Europe PMC
Last Modified
06 September 2017