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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
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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
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        biochemical role 19515
          metabolite 19502
            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 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbon oxoacid 18613
                                    carboxylic acid 18610
                                      hydroxy carboxylic acid 3860
                                        hydroxy monocarboxylic acid 3860
                                          2-hydroxy monocarboxylic acid 3128
                                            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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