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CHEBI:231952 - cinnamoylcocaine(1+)

ChEBI IDCHEBI:231952
ChEBI Namecinnamoylcocaine(1+)
Stars
DefinitionMajor species at pF 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H24NO4
Net Charge+1
Average Mass330.404
Monoisotopic Mass330.16998
SMILESCOC(=O)[C@H]1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H]2CC[C@H]1[NH+]2C
InChIInChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/p+1/b11-8+/t14-,15-,16+,18-/m1/s1
InChIKeyMQIXMJWNEKUAOZ-MHGGEXRQSA-O
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cinnamoylcocaine(1+) (CHEBI:231952) is a ammonium ion derivative (CHEBI:35274)
cinnamoylcocaine(1+) (CHEBI:231952) is a tropane alkaloid (CHEBI:37332)
cinnamoylcocaine(1+) (CHEBI:231952) is conjugate acid of Cinnamoylcocaine (CHEBI:3713)
Incoming Relation(s)
Cinnamoylcocaine (CHEBI:3713) is conjugate base of cinnamoylcocaine(1+) (CHEBI:231952)
UniProt Name  Source
cinnamoylcocaineUniProt
Citations