EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172998 - 4 alpha,23,24R-trimethyl-5 alpha-cholest-22-en-3beta-ol

ChEBI IDCHEBI:172998
ChEBI Name4 alpha,23,24R-trimethyl-5 alpha-cholest-22-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O
Net Charge0
Average Mass428.745
Monoisotopic Mass428.40182
SMILES[H][C@@]12CC[C@@]3([H])[C@H](C)[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)/C=C(\C)[C@H](C)C(C)C)CC[C@@]21[H]
InChIInChI=1S/C30H52O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h17-18,20-28,31H,9-16H2,1-8H3/b19-17+/t20?,21-,22+,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKeyLPFIPZJIWTZLEY-GLUJBYMDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
4 alpha,23,24R-trimethyl-5 alpha-cholest-22-en-3beta-ol (CHEBI:172998) has parent hydride gorgostane (CHEBI:24424)
4 alpha,23,24R-trimethyl-5 alpha-cholest-22-en-3beta-ol (CHEBI:172998) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
24850096ChemSpider
LMST01031021LIPID MAPS