CHEBI:87728 - isolithocholate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name isolithocholate ChEBI ID CHEBI:87728 Definition A bile acid anion that is the conjugate base of isolithocholic acid, obtained by deprotonation of the carboxy group. The 3β-hydroxy epimer of lithocholate. It is the major microspecies at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel 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 C24H39O3 Net Charge -1 Average Mass 375.566 Monoisotopic Mass 375.29047 InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1 InChIKey SMEROWZSTRWXGI-WFVDQZAMSA-M SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C ChEBI Ontology Outgoing isolithocholate (CHEBI:87728) is a bile acid anion (CHEBI:36235) isolithocholate (CHEBI:87728) is a cholanic acid anion (CHEBI:131878) isolithocholate (CHEBI:87728) is conjugate base of isolithocholic acid (CHEBI:81253) Incoming isolithocholic acid (CHEBI:81253) is conjugate acid of isolithocholate (CHEBI:87728) IUPAC Name 3β-hydroxy-5β-cholan-24-oate Synonyms Sources (3β,5β)-3-hydroxycholan-24-oate IUPAC 3β-lithocholate ChEBI isolithocholate UniProt Citation Type Source 26192599 PubMed citation SUBMITTER Last Modified 02 October 2015