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CHEBI:59953 - thebaine(1+)

ChEBI IDCHEBI:59953
ChEBI Namethebaine(1+)
Stars
DefinitionThe trialkylammonium ion resulting from the protonation of the amino group of thebaine.
Last Modified9 August 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H22NO3
Net Charge+1
Average Mass312.389
Monoisotopic Mass312.15942
SMILESCOC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[NH+]3C)[C@H]1O5
InChIInChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/p+1/t13-,18+,19+/m1/s1
InChIKeyFQXXSQDCDRQNQE-VMDGZTHMSA-O
ChEBI Ontology
Outgoing Relation(s)
thebaine(1+) (CHEBI:59953) is a ammonium ion derivative (CHEBI:35274)
thebaine(1+) (CHEBI:59953) is conjugate acid of thebaine (CHEBI:9519)
Incoming Relation(s)
thebaine (CHEBI:9519) is conjugate base of thebaine(1+) (CHEBI:59953)
IUPAC Name 
3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5α-epoxymorphinan-17-ium
UniProt Name  Source
thebaineUniProt
Citations