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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:gabapentin enacarbil
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Accession:CHEBI:68840 term browser browse the term
Definition:A carbamate ester that is the N-[1-(isobutyryloxy)ethoxy]carbonyl derivative of [1-(aminomethyl)cyclohexyl]acetic acid. The prodrug for gabapentin, used for treatment of neuropathic pain and restless legs syndrome.
Synonyms:exact_synonym: {1-[({[1-(isobutyryloxy)ethoxy]carbonyl}amino)methyl]cyclohexyl}acetic acid
 related_synonym: Formula=C16H27NO6;   Horizant;   InChI=1S/C16H27NO6/c1-11(2)14(20)22-12(3)23-15(21)17-10-16(9-13(18)19)7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,19);   InChIKey=TZDUHAJSIBHXDL-UHFFFAOYSA-N;   SMILES=CC(C)C(=O)OC(C)OC(=O)NCC1(CCCCC1)CC(O)=O;   XP 13512;   XP13512;   gabapentina enacarbilo;   gabapentine enacarbil;   gabapentinum enacarbilum
 xref: CAS:478296-72-9;   Drug_Central:4177;   PMID:20200691;   PMID:20511481;   PMID:20573085;   PMID:20629607;   PMID:21179617;   PMID:21242741;   PMID:21255527;   PMID:21476956;   PMID:21527006;   PMID:21611981;   PMID:21627766;   PMID:21677899;   PMID:21897349;   PMID:22036917;   PMID:22077768;   PMID:22206794;   PMID:22298601;   PMID:22325733;   PMID:22422817;   PMID:22570552;   PMID:22664749;   PMID:22849331;   PMID:22851801;   PMID:22878573;   PMID:22937989;   Patent:US2006229361;   Patent:US2007049626;   Patent:WO2005037784;   Patent:WO2005066122;   Patent:WO2006050514;   Patent:WO2008073257;   Patent:WO2010063002;   Reaxys:10188772;   Wikipedia:Gabapentin_enacarbil



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19915
    role 19885
      biological role 19883
        xenobiotic 18760
          gabapentin 46
            gabapentin enacarbil 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19915
    subatomic particle 19913
      composite particle 19895
        hadron 19895
          baryon 19913
            nucleon 19895
              atomic nucleus 19913
                atom 19895
                  main group element atom 19852
                    p-block element atom 19834
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            heteroorganic entity 19542
                              organochalcogen compound 19302
                                organooxygen compound 19218
                                  carbon oxoacid 18664
                                    carboxylic acid 18661
                                      monocarboxylic acid 18025
                                        fatty acid 16833
                                          short-chain fatty acid 15938
                                            fatty acid 4:0 8225
                                              butyric acid 6736
                                                gamma-aminobutyric acid 164
                                                  gabapentin 46
                                                    gabapentin enacarbil 0
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