CHEBI:60056 - cocaine(1+)

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ChEBI Name cocaine(1+)
Definition The conjugate base of cocaine arising from protonation of the tertiary amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C17H22NO4
Net Charge +1
Average Mass 304.36090
Monoisotopic Mass 304.15433
InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m0/s1
SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cocaine(1+) (CHEBI:60056) has role human metabolite (CHEBI:77746)
cocaine(1+) (CHEBI:60056) is a ammonium ion derivative (CHEBI:35274)
cocaine(1+) (CHEBI:60056) is a tropane alkaloid (CHEBI:37332)
cocaine(1+) (CHEBI:60056) is conjugate acid of cocaine (CHEBI:27958)
Incoming cocaine hydrochloride (CHEBI:613010) has part cocaine(1+) (CHEBI:60056)
cocaine (CHEBI:27958) is conjugate base of cocaine(1+) (CHEBI:60056)
Synonyms Sources
cocaine UniProt
cocaine cation ChEBI
Registry Numbers Types Sources
2542129 Gmelin Registry Number Gmelin
341636 Gmelin Registry Number Gmelin
Last Modified
10 March 2014