EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139131 - allolithocholic acid

ChEBI IDCHEBI:139131
ChEBI Nameallolithocholic acid
Stars
Last Modified22 November 2017
Submittermwilliams
DownloadsMolfile
FormulaC24H40O3
Net Charge0
Average Mass376.581
Monoisotopic Mass376.29775
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=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)/t15-,16+,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKeySMEROWZSTRWXGI-NWFSOSCSSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
allolithocholic acid (CHEBI:139131) is a bile acid (CHEBI:3098)
Manual XrefsDatabases
4446891ChemSpider