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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 2:158,308,674...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 19838
    role 19814
      biological role 19812
        biochemical role 19522
          metabolite 19509
            ecgonine methyl ester 1
              O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      carbon group element atom 19734
                        carbon atom 19731
                          organic molecular entity 19731
                            heteroorganic entity 19488
                              organochalcogen compound 19251
                                organooxygen compound 19168
                                  carbon oxoacid 18637
                                    carboxylic acid 18634
                                      hydroxy carboxylic acid 3855
                                        hydroxy monocarboxylic acid 3855
                                          2-hydroxy monocarboxylic acid 3126
                                            ecgonine 2
                                              ecgonine methyl ester 1
                                                O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester 0
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