EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230712 - 26,27-bisnor-22-dehydro-cholesterol

Default Structure
ChEBI IDCHEBI:230712
ChEBI Name26,27-bisnor-22-dehydro-cholesterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O
Net Charge0
Average Mass356.594
Monoisotopic Mass356.30792
SMILESCC/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C25H40O/c1-5-6-7-17(2)21-10-11-22-20-9-8-18-16-19(26)12-14-24(18,3)23(20)13-15-25(21,22)4/h6-8,17,19-23,26H,5,9-16H2,1-4H3/b7-6+/t17-,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKeyXDPJDMBYHDXXRP-GVXIOPDWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
26,27-bisnor-22-dehydro-cholesterol (CHEBI:230712) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-hex-3-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
20121961ChemSpider
LMST01010287LIPID MAPS