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CHEBI:57871 - codeine(1+)

Default Structure
ChEBI IDCHEBI:57871
ChEBI Namecodeine(1+)
Stars
DefinitionThe conjugate acid of codeine arising from protonation of the tertiary amino group; major species at pH 7.3.
Last Modified6 May 2015
DownloadsMolfile
FormulaC18H22NO3
Net Charge+1
Average Mass300.378
Monoisotopic Mass300.15942
SMILES[H][C@@]12C=C[C@H](O)[C@@H]3Oc4c(OC)ccc5c4[C@@]31CC[NH+](C)[C@@H]2C5
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/h3-6,11-13,17,20H,7-9H2,1-2H3/p+1/t11-,12+,13-,17-,18-/m0/s1
InChIKeyOROGSEYTTFOCAN-DNJOTXNNSA-O
ChEBI Ontology
Outgoing Relation(s)
codeine(1+) (CHEBI:57871) is a ammonium ion derivative (CHEBI:35274)
codeine(1+) (CHEBI:57871) is conjugate acid of codeine (CHEBI:16714)
Incoming Relation(s)
codeine (CHEBI:16714) is conjugate base of codeine(1+) (CHEBI:57871)
IUPAC Name 
3-methoxy-17-methyl-7,8-didehydro-4,5α-epoxymorphinan-17-ium-6α-ol
Synonyms  Source
(5α,6α,17S)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-17-ium-6-olChEBI
codeine cationChEBI
UniProt Name  Source
codeineUniProt
Registry NumbersSources
Gmelin:351392Gmelin