EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:137786 - (22E)-3β-hydroxy-5α-chola-7,22-dien-24-oic acid

ChEBI IDCHEBI:137786
ChEBI Name(22E)-3β-hydroxy-5α-chola-7,22-dien-24-oic acid
Stars
ASCII Name(22E)-3beta-hydroxy-5alpha-chola-7,22-dien-24-oic acid
Last Modified11 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC24H36O3
Net Charge0
Average Mass372.549
Monoisotopic Mass372.26645
SMILES[H][C@@]12CC=C3[C@]([H])(CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/C(=O)O)CC[C@@]34[H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C24H36O3/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/h4,6,9,15-17,19-21,25H,5,7-8,10-14H2,1-3H3,(H,26,27)/b9-4+/t15-,16+,17+,19-,20+,21+,23+,24-/m1/s1
InChIKeyNNOXLBZOLJVTCY-DKFALFPQSA-N
ChEBI Ontology
Outgoing Relation(s)
(22E)-3β-hydroxy-5α-chola-7,22-dien-24-oic acid (CHEBI:137786) is a 3β-hydroxy steroid (CHEBI:36836)
Manual XrefsDatabases
LMST04010287LIPID MAPS