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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:ecgonine
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Accession:CHEBI:4743 term browser browse the term
Definition:A tropane alkaloid that consists of tropane bearing carboxy and hydroxy substituents at positions 2 and 3 respectively and having (1R,2R,3S,5S)-configuration. It is both a metabolite of and a precursor to cocaine.
Synonyms:exact_synonym: (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
 related_synonym: 1-Ecgonine;   3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylic acid;   3beta-hydroxy-2beta-tropanecarboxylic acid;   Formula=C9H15NO3;   InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1;   InChIKey=PHMBVCPLDPDESM-FKSUSPILSA-N;   SMILES=[H][C@]12CC[C@]([H])([C@H]([C@@H](O)C1)C(O)=O)N2C;   [1R*-(Exo,exo)]-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
 xref: CAS:481-37-8;   DrugBank:DB01525;   KEGG:C10858;   KNApSAcK:C00002291;   PMID:11469854;   PMID:20077067;   PMID:22018173;   Reaxys:83293;   Wikipedia:Ecgonine


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ecgonine benzoate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ces1d carboxylesterase 1D increases chemical synthesis ISO CES1 protein results in increased chemical synthesis of benzoylecgonine CTD PMID:9311626 NCBI chr19:30,046,494...30,085,039
Ensembl chr19:13,796,623...13,912,035 		JBrowse link
ecgonine methyl ester term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bche butyrylcholinesterase multiple interactions
increases chemical synthesis
increases abundance		 ISO [BCHE protein mutant form results in increased hydrolysis of Cocaine] which results in increased abundance of ecgonine methyl ester
[BCHE protein mutant form results in increased metabolism of Cocaine] which results in increased chemical synthesis of ecgonine methyl ester
BCHE protein mutant form results in increased chemical synthesis of ecgonine methyl ester
BCHE protein mutant form results in increased abundance of ecgonine methyl ester		 CTD PMID:25814464 PMID:30080993 NCBI chr 2:160,607,289...160,699,760
Ensembl chr 2:158,307,584...158,401,148 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19909
    role 19880
      biological role 19878
        biochemical role 19586
          metabolite 19573
            ecgonine 2
              O-benzoylecgonine 5-carboxypentyl ester 0
              ecgonine benzoate 1
              ecgonine methyl ester + 1
              hapten GNL 0
              ioflupane I(123) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19909
    subatomic particle 19907
      composite particle 19907
        hadron 19907
          baryon 19907
            nucleon 19907
              atomic nucleus 19907
                atom 19907
                  main group element atom 19846
                    p-block element atom 19846
                      carbon group element atom 19784
                        carbon atom 19781
                          organic molecular entity 19781
                            heteroorganic entity 19540
                              organochalcogen compound 19301
                                organooxygen compound 19216
                                  carbon oxoacid 18696
                                    carboxylic acid 18693
                                      hydroxy carboxylic acid 3865
                                        hydroxy monocarboxylic acid 3865
                                          2-hydroxy monocarboxylic acid 3129
                                            ecgonine 2
                                              O-benzoylecgonine 5-carboxypentyl ester 0
                                              ecgonine benzoate 1
                                              ecgonine methyl ester + 1
                                              hapten GNL 0
                                              ioflupane I(123) 0
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