CHEBI:82679 - 7-oxolithocholic acid

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ChEBI Name 7-oxolithocholic acid ChEBI ID CHEBI:82679 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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 InChIKey DXOCDBGWDZAYRQ-AURDAFMXSA-N 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) IUPAC Name (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 LMST04010150 LIPID MAPS View more database links Registry Numbers Types Sources 3222783 Reaxys Registry Number Reaxys 4651-67-6 CAS Registry Number ChemIDplus 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