CHEBI:59953 - thebaine(1+)

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ChEBI Name thebaine(1+) ChEBI ID CHEBI:59953 Definition The trialkylammonium ion resulting from the protonation of the amino group of thebaine. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H22NO3 Net Charge +1 Average Mass 312.38290 Monoisotopic Mass 312.15942 InChI InChI=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 InChIKey FQXXSQDCDRQNQE-VMDGZTHMSA-O SMILES COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CC[NH+]3C)c45 ChEBI Ontology Outgoing thebaine(1+) (CHEBI:59953) is a ammonium ion derivative (CHEBI:35274) thebaine(1+) (CHEBI:59953) is conjugate acid of thebaine (CHEBI:9519) Incoming 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 Synonym Source thebaine UniProt Citation Type Source 20228795 PubMed citation Europe PMC Last Modified 09 August 2010