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CHEBI:194190 - neopine(1+)

ChEBI IDCHEBI:194190
ChEBI Nameneopine(1+)
Stars
DefinitionAn ammonium ion derivative that is the conjugate acid of neopine arising from protonation of the tertiary amino group; major species at pH 7.3.
Last Modified5 January 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H22NO3
Net Charge+1
Average Mass300.378
Monoisotopic Mass300.15942
SMILESCOc1ccc2c3c1O[C@H]1[C@@H](O)CC=C4[C@@H](C2)[NH+](C)CC[C@]431
InChIInChI=1S/C18H21NO3/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/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/p+1/t12-,13+,17+,18+/m1/s1
InChIKeyNNDKZTBFZTWKLA-QISBLDNZSA-O
ChEBI Ontology
Outgoing Relation(s)
neopine(1+) (CHEBI:194190) is a ammonium ion derivative (CHEBI:35274)
neopine(1+) (CHEBI:194190) is conjugate acid of neopine (CHEBI:7509)
Incoming Relation(s)
neopine (CHEBI:7509) is conjugate base of neopine(1+) (CHEBI:194190)
IUPAC Name 
6α-hydroxy-3-methoxy-17-methyl-5α-8,14-didehydro-4,5-epoxymorphinan-17-ium
Synonyms  Source
neopine cationChEBI
(−)-neopine(1+)ChEBI
(−)-neopine cationChEBI
UniProt Name  Source
neopineUniProt
Manual XrefsDatabases
CPD-26152MetaCyc
Citations