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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:Cocaethylene
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Accession:CHEBI:174315 term browser browse the term
Synonyms:exact_synonym: ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
 related_synonym: Formula=C18H23NO4;   InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1;   InChIKey=NMPOSNRHZIWLLL-XUWVNRHRSA-N;   SMILES=O([C@@H]1[C@@H]([C@@]2(N([C@@](CC2)(C1)[H])C)[H])C(OCC)=O)C(=O)C3=CC=CC=C3
 xref: CAS:529-38-4;   Chemspider:559082
 xref_mesh: MESH:C066444


show annotations for term's descendants           Sort by:
Cocaethylene term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G CES1 carboxylesterase 1 increases chemical synthesis EXP CES1 protein results in increased chemical synthesis of cocaethylene CTD PMID:9311626 PMID:12773168 NCBI chr16:55,802,851...55,833,096
Ensembl chr16:55,802,851...55,833,337 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26041
    chemical entity 26020
      group 25883
        inorganic group 24577
          oxo group 23569
            organic oxo compound 23569
              carbonyl compound 23569
                carboxylic ester 17841
                  benzoate ester 5857
                    Cocaethylene 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            heteroorganic entity 24773
                              organochalcogen compound 24384
                                organooxygen compound 24061
                                  carbon oxoacid 22757
                                    carboxylic acid 22737
                                      aromatic carboxylic acid 13382
                                        benzoic acids 13356
                                          benzoate ester 5857
                                            Cocaethylene 1
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