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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:PABA/NO
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Accession:CHEBI:195533 term browser browse the term
Definition:A C-nitro compound that is benzene substituted by [4-(methylamino)benzoyl]oxy, nitro, nitro, and (3,3-dimethyl-2-oxido-2lambda(5)-triaz-1-en-1-yl)oxy groups at positions 1, 2, 4, and 5, respectively. It is an anti-cancer compound that is designed to release NO upon activation by glutathione.
Synonyms:exact_synonym: 5-[(3,3-dimethyl-2-oxido-2lambda(5)-triaz-1-en-1-yl)oxy]-2,4-dinitrophenyl 4-(methylamino)benzoate
 related_synonym: 5-[(3,3-dimethyl-2-oxido-1-triazen-1-yl)oxy]-2,4-dinitrophenyl 4-(methylamino)benzoate;   Formula=C16H16N6O8;   InChI=1S/C16H16N6O8/c1-17-11-6-4-10(5-7-11)16(23)29-14-9-15(30-18-22(28)19(2)3)13(21(26)27)8-12(14)20(24)25/h4-9,17H,1-3H3;   InChIKey=DZJYJYAXGBNEMK-UHFFFAOYSA-N;   O(2)-(2,4-dinitro-5-(4-(N-methylamino)benzoyloxy)phenyl) 1-(N,N-dimethylamino)diazen-1-ium-1,2-diolate;   SMILES=CNC1=CC=C(C=C1)C(=O)OC1=C(C=C(C(ON=[N+]([O-])N(C)C)=C1)[N+]([O-])=O)[N+]([O-])=O
 xref: CAS:875769-11-2;   PMID:15102935;   PMID:16288082;   PMID:16399394;   PMID:16451080;   PMID:18060792;   PMID:19053760;   PMID:19662104;   PMID:19773442;   PMID:20000791;   PMID:20232108;   PMID:21455987;   PMID:21949595;   PMID:22654912;   PMID:23617697;   PMID:26043946



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19810
      application 19679
        pro-agent 11524
          prodrug 11285
            PABA/NO 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19722
                        carbon atom 19719
                          organic molecular entity 19719
                            heteroorganic entity 19474
                              organochalcogen compound 19262
                                organooxygen compound 19153
                                  carbon oxoacid 18647
                                    carboxylic acid 18620
                                      aromatic carboxylic acid 12679
                                        benzoic acids 12656
                                          benzoate ester 5728
                                            PABA/NO 0
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