EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173014 - 5alpha,8alpha-epidioxy-24-methyl-27-nor-cholest-6,22Z-dien-3beta-ol

ChEBI IDCHEBI:173014
ChEBI Name5alpha,8alpha-epidioxy-24-methyl-27-nor-cholest-6,22Z-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C\C(C)CC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@]21OO4
InChIInChI=1S/C27H42O3/c1-6-18(2)7-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h7-8,15-16,18-23,28H,6,9-14,17H2,1-5H3/b8-7-/t18?,19-,20+,21-,22-,23-,24-,25-,26-,27+/m1/s1
InChIKeyRMCNEIUNJZPGIG-HUTBDJSTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
5alpha,8alpha-epidioxy-24-methyl-27-nor-cholest-6,22Z-dien-3beta-ol (CHEBI:173014) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(Z,2R)-5-methylhept-3-en-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
Manual XrefsDatabases
27024028ChemSpider
LMST01031110LIPID MAPS