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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: 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 2:160,607,289...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 20856
    role 20816
      biological role 20814
        biochemical role 20261
          metabolite 20243
            ecgonine methyl ester 1
              O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20856
    subatomic particle 20854
      composite particle 20854
        hadron 20854
          baryon 20854
            nucleon 20854
              atomic nucleus 20854
                atom 20854
                  main group element atom 20777
                    p-block element atom 20777
                      carbon group element atom 20710
                        carbon atom 20704
                          organic molecular entity 20704
                            heteroorganic entity 20215
                              organochalcogen compound 19902
                                organooxygen compound 19804
                                  carbon oxoacid 19150
                                    carboxylic acid 19147
                                      hydroxy carboxylic acid 3877
                                        hydroxy monocarboxylic acid 3877
                                          2-hydroxy monocarboxylic acid 3132
                                            ecgonine 2
                                              ecgonine methyl ester 1
                                                O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester 0
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