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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:hapten GNL
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Accession:CHEBI:63227 term browser browse the term
Definition:An azabicycloalkane that consists of ecgonine having phenylphosphonyl and alkyl groups attached to the hydroxy and carboxy groups respectively. Used as a transition state analogue of cocaine.
Synonyms:exact_synonym: N-[6-({[(1R,2R,3S,5S)-3-{[hydroxy(phenyl)phosphoryl]oxy}-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]carbonyl}oxy)hexanoyl]-beta-alanine
 related_synonym: Formula=C24H35N2O8P;   GNL;   InChI=1S/C24H35N2O8P/c1-26-17-11-12-19(26)23(20(16-17)34-35(31,32)18-8-4-2-5-9-18)24(30)33-15-7-3-6-10-21(27)25-14-13-22(28)29/h2,4-5,8-9,17,19-20,23H,3,6-7,10-16H2,1H3,(H,25,27)(H,28,29)(H,31,32)/t17-,19+,20-,23+/m0/s1;   InChIKey=XCVMZQUXSKASCG-JBYGMCGMSA-N;   SMILES=[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OP(O)(=O)c1ccccc1)C(=O)OCCCCCC(=O)NCCC(O)=O)N2C
 xref: PMID:11206477;   PMID:16472740;   PMID:17084858;   Reaxys:8812525


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19773
    role 19723
      biological role 19723
        hapten 3018
          hapten GNL 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19771
      composite particle 19771
        hadron 19771
          baryon 19771
            nucleon 19771
              atomic nucleus 19771
                atom 19771
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19583
                        carbon atom 19573
                          organic molecular entity 19573
                            organic group 18603
                              organic divalent group 18594
                                organodiyl group 18594
                                  carbonyl group 18507
                                    carbonyl compound 18507
                                      carboxylic acid 18159
                                        amino acid 14111
                                          non-proteinogenic amino acid 1807
                                            beta-amino acid 187
                                              beta-alanine 55
                                                beta-alanine derivative 55
                                                  hapten GNL 0
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