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CHEBI:59950 - neopinone(1+)

ChEBI IDCHEBI:59950
ChEBI Nameneopinone(1+)
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DefinitionThe trialkylammonium ion resulting from the protonation of the amino group of neopinone.
Last Modified27 March 2023
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H20NO3
Net Charge+1
Average Mass298.362
Monoisotopic Mass298.14377
SMILESCOc1ccc2c3c1O[C@H]1C(=O)CC=C4[C@@H](C2)[NH+](C)CC[C@]431
InChIInChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12,17H,5,7-9H2,1-2H3/p+1/t12-,17+,18+/m1/s1
InChIKeyLJVKMVSYTWPNGA-UUWFMWQGSA-O
ChEBI Ontology
Outgoing Relation(s)
neopinone(1+) (CHEBI:59950) is a ammonium ion derivative (CHEBI:35274)
neopinone(1+) (CHEBI:59950) is conjugate acid of neopinone (CHEBI:7510)
Incoming Relation(s)
neopinone (CHEBI:7510) is conjugate base of neopinone(1+) (CHEBI:59950)
IUPAC Name 
3-methoxy-17-methyl-6-oxo-8,14-didehydro-4,5α-epoxymorphinan-17-ium
UniProt Name  Source
neopinoneUniProt
Manual XrefsDatabases
CPD-7712MetaCyc
Citations