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CHEBI:231312 - PETILINE

ChEBI IDCHEBI:231312
ChEBI NamePETILINE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H43NO2
Net Charge0
Average Mass413.646
Monoisotopic Mass413.32938
SMILESCC1CCC(C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)=NC1
InChIInChI=1S/C27H43NO2/c1-16-5-8-24(28-15-16)17(2)20-6-7-21-19-14-25(30)23-13-18(29)9-11-27(23,4)22(19)10-12-26(20,21)3/h16-23,29H,5-15H2,1-4H3
InChIKeyQAGPPGDCPAPQLW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
PETILINE (CHEBI:231312) is a steroid alkaloid (CHEBI:26767)
IUPAC Name 
3-hydroxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
2952307ChemSpider