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CHEBI:57728 - morphiniumone(1+)

ChEBI IDCHEBI:57728
ChEBI Namemorphiniumone(1+)
Stars
DefinitionThe conjugate acid of morphinone arising from protonation of the tertiary amino group; major species at pH 7.3.
Last Modified13 February 2015
DownloadsMolfile
FormulaC17H18NO3
Net Charge+1
Average Mass284.335
Monoisotopic Mass284.12812
SMILESC[NH+]1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C=C[C@H]3[C@H]1C5
InChIInChI=1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3/p+1/t10-,11+,16-,17-/m0/s1
InChIKeyPFBSOANQDDTNGJ-YNHQPCIGSA-O
ChEBI Ontology
Outgoing Relation(s)
morphiniumone(1+) (CHEBI:57728) is a ammonium ion derivative (CHEBI:35274)
morphiniumone(1+) (CHEBI:57728) is conjugate acid of morphinone (CHEBI:16315)
Incoming Relation(s)
morphinone (CHEBI:16315) is conjugate base of morphiniumone(1+) (CHEBI:57728)
IUPAC Name 
3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxy-5α-morphinan-17-ium-6-one
Synonyms  Source
morphiniumone cationChEBI
morphinone cationChEBI
UniProt Name  Source
morphinoneUniProt