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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 5052
    role 5044
      chemical role 824
        donor 557
          Bronsted acid 420
            oxoacid 403
              carbon oxoacid 368
                carboxylic acid 364
                  monocarboxylic acid 206
                    4-oxo-4-(pyridin-3-yl)butanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbon oxoacid 368
                                    carboxylic acid 364
                                      carboacyl group 209
                                        univalent carboacyl group 209
                                          formyl group 15
                                            aldehyde 15
                                              butanals 0
                                                4-oxo-4-(pyridin-3-yl)butanal 0
                                                  4-oxo-4-(pyridin-3-yl)butanoic acid 0
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