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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:4-oxo-4-(pyridin-3-yl)butanoic acid
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Accession:CHEBI:66951 term browser browse the term
Definition:A monocarboxylic acid that is succinic acid in which the hydroxy group of one of the carboxy groups is replaced by a pyridin-3-yl group. A byproduct of tobacco-specific N-nitrosamines generated by cytochrome P-450 which catalyzes methylnitrosaminopyridylbutanone hydroxylation, this nicotine metabolite is commonly found in the urine of smokers.
Synonyms:related_synonym: 3-succinoylpyridine;   4-oxo-4-(3-pyridyl)-butanoic acid;   4-oxo-4-(3-pyridyl)-butyric acid;   4-oxo-4-(pyridin-3-yl)butyric acid;   Formula=C9H9NO3;   InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13);   InChIKey=JGSUNMCABQUBOY-UHFFFAOYSA-N;   SMILES=OC(=O)CCC(=O)c1cccnc1;   gamma-oxo-3-pyridinebutanoic acid;   gamma-oxo-3-pyridinebutyric acid
 xref: CAS:4192-31-8;   HMDB:HMDB0000992;   KEGG:C19569;   MetaCyc:CPD-14094;   PMID:11368333;   PMID:14581070;   PMID:17464070;   PMID:22267672;   Reaxys:142481
 cyclic_relationship: is_conjugate_acid_of CHEBI:66942


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      chemical role 19422
        donor 18873
          Bronsted acid 18783
            oxoacid 18725
              carbon oxoacid 18597
                carboxylic acid 18594
                  monocarboxylic acid 17952
                    4-oxo-4-(pyridin-3-yl)butanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbon oxoacid 18597
                                    carboxylic acid 18594
                                      carboacyl group 17675
                                        univalent carboacyl group 17675
                                          formyl group 9000
                                            aldehyde 9000
                                              butanals 3331
                                                4-oxo-4-(pyridin-3-yl)butanal 1
                                                  4-oxo-4-(pyridin-3-yl)butanoic acid 0
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