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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:(1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenylcyclohexan-1-ol
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Accession:CHEBI:43278 term browser browse the term
Definition:A gamma-aminobutyric acid (GABA)-based hapten where a 4-substituted benzoyl group is attached to nitrogen.
Synonyms:exact_synonym: 4-{4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]benzamido}butanoic acid
 related_synonym: (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL;   4-({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]benzoyl}amino)butanoic acid;   Formula=C23H27NO4;   InChI=1S/C23H27NO4/c25-21-15-19(16-5-2-1-3-6-16)12-13-20(21)17-8-10-18(11-9-17)23(28)24-14-4-7-22(26)27/h1-3,5-6,8-11,19-21,25H,4,7,12-15H2,(H,24,28)(H,26,27)/t19-,20+,21-/m0/s1;   InChIKey=OBWILOKKNDYPLX-HBMCJLEFSA-N;   SMILES=O[C@H]1C[C@H](CC[C@@H]1c1ccc(cc1)C(=O)NCCCC(O)=O)c1ccccc1
 xref: DrugBank:DB07909;   PDB:1AXS;   PDBeChem:HOP;   PMID:9305839



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  CHEBI ontology 0
    role 0
      biological role 0
        hapten 0
          (1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenylcyclohexan-1-ol 0
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Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          short-chain fatty acid 0
                                            fatty acid 4:0 0
                                              butyric acid 0
                                                gamma-aminobutyric acid 0
                                                  N-acyl-gamma-aminobutyric acid 0
                                                    (1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenylcyclohexan-1-ol 0
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