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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 methyl ester
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Accession:CHEBI:31529 term browser browse the term
Definition:The O-debenzoyl analogue of cocaine.
Synonyms:exact_synonym: (1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-ol;   methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
 related_synonym: Formula=C10H17NO3;   InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1;   InChIKey=QIQNNBXHAYSQRY-UYXSQOIJSA-N;   Methyl ecgonine;   SMILES=[H][C@]12CC[C@]([H])([C@H]([C@@H](O)C1)C(=O)OC)N2C
 xref: Beilstein:83529;   CAS:7143-09-1;   DrugBank:DB04688;   KEGG:C12448
 xref_mesh: MESH:C034524
 xref: PDBeChem:ECG;   PMID:11469854;   PMID:16472740;   PMID:20052577;   PMID:20077067;   PMID:21046786;   PMID:21885621;   PMID:22018173;   Reaxys:83529
 cyclic_relationship: is_conjugate_base_of CHEBI:59908


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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 abundance
increases chemical synthesis
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 abundance of ecgonine methyl ester
BCHE protein mutant form results in increased chemical synthesis of ecgonine methyl ester
[BCHE protein mutant form results in increased metabolism of Cocaine] which results in increased chemical synthesis of ecgonine methyl ester
CTD PMID:25814464, PMID:30080993 NCBI chr 2:171,104,476...171,196,186
Ensembl chr 2:171,100,140...171,196,395
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        biochemical role 19282
          metabolite 19263
            ecgonine methyl ester 1
              O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        hydroxy carboxylic acid 3603
                                          hydroxy monocarboxylic acid 3603
                                            2-hydroxy monocarboxylic acid 2916
                                              ecgonine 2
                                                ecgonine methyl ester 1
                                                  O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester 0
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