EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190357 - 24-Nor-5beta-cholane-3alpha,7alpha,22,23-tetrol

Default Structure
ChEBI IDCHEBI:190357
ChEBI Name24-Nor-5beta-cholane-3alpha,7alpha,22,23-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O4
Net Charge0
Average Mass380.569
Monoisotopic Mass380.29266
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)C(O)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C23H40O4/c1-13(20(27)12-24)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(25)10-14(22)11-19(21)26/h13-21,24-27H,4-12H2,1-3H3/t13-,14-,15+,16+,17-,18-,19+,20?,21-,22-,23+/m0/s1
InChIKeyASYNKIUHLPMXKX-USBDYWLPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
24-Nor-5beta-cholane-3alpha,7alpha,22,23-tetrol (CHEBI:190357) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2S)-3,4-dihydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Manual XrefsDatabases
4447388ChemSpider
LMST04060004LIPID MAPS