CHEBI:185963 - cholesta-5,7,8(14),22E-tetraen-3-one

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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-5,7,8(14),22E-tetraen-3-one
ChEBI ID CHEBI:185963
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O
Net Charge 0
Average Mass 378.600
Monoisotopic Mass 378.29227
InChI InChI=1S/C27H38O/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/h6,8-10,17-19,23,25H,7,11-16H2,1-5H3/b8-6+/t19-,23-,25+,26+,27-/m1/s1
InChIKey AJRNPFZYKICTEM-AQAVSRJYSA-N
SMILES O=C1CC[C@@]2([C@]3(CC[C@@]4([C@](CCC4=C3C=CC2=C1)([C@H](C)/C=C/CC(C)C)[H])C)[H])C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing cholesta-5,7,8(14),22E-tetraen-3-one (CHEBI:185963) is a cholestanoid (CHEBI:50401)
IUPAC Name
(9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Manual Xrefs Databases
4946557 ChemSpider
LMST01010295 LIPID MAPS
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Registry Number Type Source
126149-90-4 CAS Registry Number ChemIDplus