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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
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19659
    role 19634
      biological role 19633
        biochemical role 19388
          metabolite 19333
            ecgonine methyl ester 1
              O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19659
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19700
                atom 19658
                  main group element atom 19607
                    p-block element atom 19607
                      carbon group element atom 19550
                        carbon atom 19547
                          organic molecular entity 19588
                            organic group 18752
                              organic divalent group 18771
                                organodiyl group 18737
                                  carbonyl group 18704
                                    carbonyl compound 18738
                                      carboxylic acid 18409
                                        hydroxy carboxylic acid 3732
                                          hydroxy monocarboxylic acid 3732
                                            2-hydroxy monocarboxylic acid 2998
                                              ecgonine 2
                                                ecgonine methyl ester 1
                                                  O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester 0
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