EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172988 - 5alpha-ergostan-3beta-ol

ChEBI IDCHEBI:172988
ChEBI Name5alpha-ergostan-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50O
Net Charge0
Average Mass402.707
Monoisotopic Mass402.38617
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CC[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,23-,24+,25-,26-,27-,28+/m0/s1
InChIKeyARYTXMNEANMLMU-OZEQXKMUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
5alpha-ergostan-3beta-ol (CHEBI:172988) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
C19651KEGG COMPOUND
4446734ChemSpider
LMST01030102LIPID MAPS
Registry NumbersSources
CAS:6538-02-9ChemIDplus