CHEBI:172615 - 5a-Cholesta-8,24-dien-3-one

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 5a-Cholesta-8,24-dien-3-one
ChEBI ID CHEBI:172615
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/h7,19-20,23-24H,6,8-17H2,1-5H3/t19-,20?,23-,24+,26+,27-/m1/s1
InChIKey AUNLIRXIJAVBNM-YBXLEUBGSA-N
SMILES O=C1CC2[C@@](C3=C([C@]4([C@@]([C@](CC4)([C@@H](CCC=C(C)C)C)[H])(CC3)C)[H])CC2)(CC1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 5a-Cholesta-8,24-dien-3-one (CHEBI:172615) is a cholestanoid (CHEBI:50401)
IUPAC Name
(10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Manual Xrefs Databases
17216058 ChemSpider
HMDB0001093 HMDB
View more database links