CHEBI:138389 - 7,12-dioxolithocholic acid

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ChEBI Name 7,12-dioxolithocholic acid
Definition A bile acid that is lithocholic acid carrying two additional oxo substituents at positions 7 and 12.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H36O5
Net Charge 0
Average Mass 404.541
Monoisotopic Mass 404.25627
InChI InChI=1S/C24H36O5/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/h13-18,22,25H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,22+,23+,24-/m1/s1
SMILES C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)=O)[H])C
Metabolite of Species Details
Bacillus sp. (NCBI:txid1409) 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): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7,12-dioxolithocholic acid (CHEBI:138389) has functional parent lithocholic acid (CHEBI:16325)
7,12-dioxolithocholic acid (CHEBI:138389) has role bacterial metabolite (CHEBI:76969)
7,12-dioxolithocholic acid (CHEBI:138389) is a 12-oxo steroid (CHEBI:48070)
7,12-dioxolithocholic acid (CHEBI:138389) is a 3α-hydroxy steroid (CHEBI:36835)
7,12-dioxolithocholic acid (CHEBI:138389) is a 7-oxo steroid (CHEBI:47789)
7,12-dioxolithocholic acid (CHEBI:138389) is a bile acid (CHEBI:3098)
7,12-dioxolithocholic acid (CHEBI:138389) is a monohydroxy-5β-cholanic acid (CHEBI:36260)
7,12-dioxolithocholic acid (CHEBI:138389) is a oxo-5β-cholanic acid (CHEBI:25753)
7,12-dioxolithocholic acid (CHEBI:138389) is conjugate acid of 7,12-dioxolithocholate (CHEBI:137789)
Incoming 7,12-dioxolithocholate (CHEBI:137789) is conjugate base of 7,12-dioxolithocholic acid (CHEBI:138389)
3α-hydroxy-7,12-dioxo-5β-cholan-24-oic acid
Synonyms Sources
(3α,5β)-3-hydroxy-7,12-dioxocholan-24-oic acid IUPAC
3-Hydroxy-7,12-diketocholanoic acid ChemIDplus
3alpha-Hydroxy-7,12-diketo-5beta-cholanoic acid ChemIDplus
7,12-diketolithocholic acid ChEBI
Registry Numbers Types Sources
3226353 Reaxys Registry Number Reaxys
517-33-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10585964 PubMed citation Europe PMC
11146084 PubMed citation Europe PMC
21546225 PubMed citation Europe PMC
Last Modified
06 September 2017