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ONTOLOGY REPORT - ANNOTATIONS


Term:ecgonine benzoate
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Accession:CHEBI:41001 term browser browse the term
Definition:A benzoate ester metabolite of cocaine formed by hydrolysis of the methyl ester group, catalysed by carboxylesterases.
Synonyms:exact_synonym: (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
 related_synonym: (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;   3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;   BCG;   BEG;   Benzoylecgonine;   Formula=C16H19NO4;   InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1;   InChIKey=GVGYEFKIHJTNQZ-RFQIPJPRSA-N;   O-Benzoyl-(-)-ecgonine;   O-benzoylecgonine;   SMILES=[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(O)=O)N2C
 alt_id: CHEBI:3041
 xref: Beilstein:89637 "Beilstein";   CAS:519-09-5 "ChemIDplus";   CAS:519-09-5 "KEGG COMPOUND";   CAS:519-09-5 "NIST Chemistry WebBook";   DrugBank:DB01515;   HMDB:HMDB0041836;   KEGG:C10847;   KNApSAcK:C00002280
 xref_mesh: MESH:C005618
 xref: PDB:1QYG;   PMID:11095584 "Europe PMC";   PMID:11303043 "Europe PMC";   PMID:11384570 "Europe PMC";   PMID:11469854 "Europe PMC";   PMID:12908939 "Europe PMC";   PMID:14606999 "Europe PMC";   PMID:15885702 "Europe PMC";   PMID:16389661 "Europe PMC";   PMID:17610217 "Europe PMC";   PMID:18819113 "Europe PMC";   PMID:18974960 "Europe PMC";   PMID:19127949 "Europe PMC";   Reaxys:89637 "Reaxys";   Wikipedia:Ecgonine_benzoate


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ecgonine benzoate term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Ces1d carboxylesterase 1D JBrowse link 19 15,195,514 15,239,827 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19657
    role 19601
      biological role 19599
        epitope 6711
          ecgonine benzoate 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19657
    subatomic particle 19653
      composite particle 19653
        hadron 19653
          baryon 19653
            nucleon 19653
              atomic nucleus 19653
                atom 19653
                  main group element atom 19534
                    p-block element atom 19534
                      carbon group element atom 19417
                        carbon atom 19409
                          organic molecular entity 19409
                            organic group 18338
                              organic divalent group 18329
                                organodiyl group 18329
                                  carbonyl group 18218
                                    carbonyl compound 18218
                                      carboxylic acid 17918
                                        hydroxy carboxylic acid 3585
                                          hydroxy monocarboxylic acid 3585
                                            2-hydroxy monocarboxylic acid 2914
                                              ecgonine 2
                                                ecgonine benzoate 1
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.