CHEBI:230228 - Cholesta-5,7,9(11)-trien-3beta-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cholesta-5,7,9(11)-trien-3beta-ol
ChEBI ID CHEBI:230228
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42O
Net Charge 0
Average Mass 382.632
Monoisotopic Mass 382.32357
InChI InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,14,18-19,21,23-24,28H,6-8,11-13,15-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1
InChIKey YQYYDLWKDGKMKI-BXAZICILSA-N
SMILES O[C@@H]1CC=2[C@@](C=3C([C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC3)C)=CC2)(CC1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Cholesta-5,7,9(11)-trien-3beta-ol (CHEBI:230228) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xref Database
149584 ChemSpider
View more database links