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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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Term Annotations click to browse term
  CHEBI ontology 19781
    role 19726
      biological role 19726
        xenobiotic 18398
          gabapentin 39
            gabapentin enacarbil 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic group 18620
                              organic divalent group 18611
                                organodiyl group 18611
                                  carbonyl group 18526
                                    carbonyl compound 18526
                                      carboxylic acid 18202
                                        monocarboxylic acid 17606
                                          fatty acid 16003
                                            short-chain fatty acid 15690
                                              fatty acid 4:0 7864
                                                butyric acid 6222
                                                  gamma-aminobutyric acid 153
                                                    gabapentin 39
                                                      gabapentin enacarbil 0
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