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CHEBI:57728 - morphiniumone(1+)
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ChEBI Name
morphiniumone(1+)
ChEBI ID
CHEBI:57728
Definition
The conjugate acid of morphinone arising from protonation of the tertiary amino group; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C17H18NO3
Net Charge
+1
Average Mass
284.32970
Monoisotopic Mass
284.12812
InChI
InChI=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
InChIKey
PFBSOANQDDTNGJ-YNHQPCIGSA-O
SMILES
C[NH+]1CC[C@@]23[C@H]4C=CC(=O)[C@@H]2Oc2c(O)ccc(C[C@@H]14)c32
ChEBI Ontology
Outgoing
morphiniumone(1+) (
CHEBI:57728
)
is a
ammonium ion derivative (
CHEBI:35274
)
morphiniumone(1+) (
CHEBI:57728
)
is conjugate acid of
morphinone (
CHEBI:16315
)
Incoming
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
Sources
morphiniumone cation
ChEBI
morphinone
UniProt
morphinone cation
ChEBI
Last Modified
13 February 2015