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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 chr19:13,873,490...13,912,035
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 2:158,308,674...158,401,148
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 19812
    role 19784
      biological role 19782
        biochemical role 19495
          metabolite 19480
            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 19812
    subatomic particle 19810
      composite particle 19810
        hadron 19810
          baryon 19810
            nucleon 19810
              atomic nucleus 19810
                atom 19810
                  main group element atom 19755
                    p-block element atom 19755
                      carbon group element atom 19698
                        carbon atom 19693
                          organic molecular entity 19693
                            organic group 18902
                              organic divalent group 18884
                                organodiyl group 18884
                                  carbonyl group 18850
                                    carbonyl compound 18850
                                      carboxylic acid 18564
                                        hydroxy carboxylic acid 3754
                                          hydroxy monocarboxylic acid 3754
                                            2-hydroxy monocarboxylic acid 3019
                                              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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