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CHEBI:230570 - (3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol

ChEBI IDCHEBI:230570
ChEBI Name(3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O3
Net Charge0
Average Mass420.678
Monoisotopic Mass420.36035
SMILESCC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
InChIInChI=1S/C27H48O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3
InChIKeyFHSVMYDBGPVTTJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol (CHEBI:230570) is a bile acid (CHEBI:3098)
IUPAC Name 
2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptane-3,4-diol
Manual XrefsDatabases
HMDB0039463HMDB