EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173025 - 24-ethyl-26-norcholesta-5,22E,25-trien-3beta-ol

ChEBI IDCHEBI:173025
ChEBI Name24-ethyl-26-norcholesta-5,22E,25-trien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O
Net Charge0
Average Mass396.659
Monoisotopic Mass396.33922
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)/C=C/C(C=C)CC
InChIInChI=1S/C28H44O/c1-6-20(7-2)9-8-19(3)24-12-13-25-23-11-10-21-18-22(29)14-16-27(21,4)26(23)15-17-28(24,25)5/h6,8-10,19-20,22-26,29H,1,7,11-18H2,2-5H3/b9-8+/t19-,20?,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKeySUKGHHZYOKXZRR-LZVHCVFPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
24-ethyl-26-norcholesta-5,22E,25-trien-3beta-ol (CHEBI:173025) has parent hydride stigmastane (CHEBI:26773)
24-ethyl-26-norcholesta-5,22E,25-trien-3beta-ol (CHEBI:173025) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E)-5-ethylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01040156LIPID MAPS
29216149ChemSpider