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CHEBI:182750 - (3S,10R,13S,17R)-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

ChEBI IDCHEBI:182750
ChEBI Name(3S,10R,13S,17R)-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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H43NO2
Net Charge0
Average Mass413.646
Monoisotopic Mass413.32938
SMILESCC1CCC(C(C)[C@H]2CCC3C4CC(=O)C5C[C@@H](O)CC[C@]5(C)C4CC[C@@]32C)=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/t16?,17?,18-,19?,20+,21?,22?,23?,26+,27+/m0/s1
InChIKeyQAGPPGDCPAPQLW-FQUZLJTOSA-N
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)
(3S,10R,13S,17R)-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 (CHEBI:182750) is a steroid alkaloid (CHEBI:26767)
IUPAC Name 
(3S,10R,13S,17R)-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
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