EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188195 - 5beta-Cholestane-3alpha,7alpha,25,26-tetrol

ChEBI IDCHEBI:188195
ChEBI Name5beta-Cholestane-3alpha,7alpha,25,26-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O4
Net Charge0
Average Mass436.677
Monoisotopic Mass436.35526
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)CCCC(C)(O)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O4/c1-17(6-5-11-25(2,31)16-28)20-7-8-21-24-22(10-13-27(20,21)4)26(3)12-9-19(29)14-18(26)15-23(24)30/h17-24,28-31H,5-16H2,1-4H3/t17-,18+,19-,20-,21+,22+,23-,24+,25?,26+,27-/m1/s1
InChIKeyQGFLDSRGMOKMKF-XSQSGALCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5beta-Cholestane-3alpha,7alpha,25,26-tetrol (CHEBI:188195) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-6-methylheptan-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
4447288ChemSpider
LMST04030024LIPID MAPS
Registry NumbersSources
CAS:67476-60-2ChemIDplus