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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:6-\{hydroxy[(4-nitrobenzyl)oxy]phosphoryl\}hexanoic acid
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Accession:CHEBI:140643 term browser browse the term
Definition:A C-nitro compound that is 6-phosphonohexanoic acid in which the phosphono function is esterified with (4-nitrophenyl)methanol; a phosphonate transition state analogue with affinity for catalytic antibody 7B9.
Synonyms:related_synonym: 6-[hydroxy[(4-nitrophenyl)methoxy]phosphinyl]hexanoic acid;   Formula=C13H18NO7P;   InChI=1S/C13H18NO7P/c15-13(16)4-2-1-3-9-22(19,20)21-10-11-5-7-12(8-6-11)14(17)18/h5-8H,1-4,9-10H2,(H,15,16)(H,19,20);   InChIKey=ARWNSSBHKYKVRY-UHFFFAOYSA-N;   SMILES=C=1(C=CC(=CC1)[N+]([O-])=O)COP(CCCCCC(O)=O)(=O)O
 xref: PMID:10839182;   PMID:29496413;   Reaxys:8639551


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    chemical entity 19829
      group 19788
        inorganic group 19381
          nitro group 11135
            nitro compound 11135
              C-nitro compound 10861
                6-\{hydroxy[(4-nitrobenzyl)oxy]phosphoryl\}hexanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      chalcogen 19534
                        oxygen atom 19509
                          oxygen molecular entity 19509
                            hydroxides 19320
                              oxoacid 18744
                                pnictogen oxoacid 13224
                                  phosphorus oxoacid 12429
                                    phosphorus oxoacid derivative 11776
                                      phosphonic acid derivative 2355
                                        phosphonic ester 2249
                                          6-\{hydroxy[(4-nitrobenzyl)oxy]phosphoryl\}hexanoic acid 0
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