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ONTOLOGY REPORT - ANNOTATIONS


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 "Beilstein";   CAS:7143-09-1 "ChemIDplus";   CAS:7143-09-1 "NIST Chemistry WebBook";   DrugBank:DB04688;   KEGG:C12448
 xref_mesh: MESH:C034524
 xref: PDBeChem:ECG;   PMID:11469854 "Europe PMC";   PMID:16472740 "Europe PMC";   PMID:20052577 "Europe PMC";   PMID:20077067 "Europe PMC";   PMID:21046786 "Europe PMC";   PMID:21885621 "Europe PMC";   PMID:22018173 "Europe PMC";   Reaxys:83529 "Reaxys"
 cyclic_relationship: is_conjugate_base_of CHEBI:59908


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ecgonine methyl ester term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Bche butyrylcholinesterase JBrowse link 2 171,104,476 171,196,186 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19662
    role 19606
      biological role 19604
        biochemical role 19133
          metabolite 19101
            ecgonine methyl ester 1
              O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19662
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19658
                atom 19658
                  main group element atom 19539
                    p-block element atom 19539
                      carbon group element atom 19422
                        carbon atom 19414
                          organic molecular entity 19414
                            organic group 18340
                              organic divalent group 18330
                                organodiyl group 18330
                                  carbonyl group 18217
                                    carbonyl compound 18217
                                      carboxylic acid 17921
                                        hydroxy carboxylic acid 3580
                                          hydroxy monocarboxylic acid 3580
                                            2-hydroxy monocarboxylic acid 2908
                                              ecgonine 2
                                                ecgonine methyl ester 1
                                                  O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester 0
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