EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173027 - 24E-ethylidene-25-methylcholest-5-en-3beta-ol

ChEBI IDCHEBI:173027
ChEBI Name24E-ethylidene-25-methylcholest-5-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC/C(=C\C)C(C)(C)C)[C@@]1(C)CC[C@@]1([H])C2CC=C2C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C30H50O/c1-8-21(28(3,4)5)10-9-20(2)25-13-14-26-24-12-11-22-19-23(31)15-17-29(22,6)27(24)16-18-30(25,26)7/h8,11,20,23-27,31H,9-10,12-19H2,1-7H3/b21-8+/t20-,23+,24?,25-,26+,27+,29+,30-/m1/s1
InChIKeyLGTNGUBXDMOGTF-JPPFHWGDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
24E-ethylidene-25-methylcholest-5-en-3beta-ol (CHEBI:173027) has parent hydride stigmastane (CHEBI:26773)
24E-ethylidene-25-methylcholest-5-en-3beta-ol (CHEBI:173027) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,9S,10R,13R,14S,17R)-17-[(E,2R)-5-tert-butylhept-5-en-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
LMST01040165LIPID MAPS