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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)butanal
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Accession:CHEBI:66879 term browser browse the term
Definition:A member of the class of butanals that is succinic semialdehyde in which the hydroxy group of the carboxylic acid function is replaced by a pyridin-3-yl group.
Synonyms:related_synonym: 3-succinoylsemialdehyde-pyridine;   4-(3-pyridyl)-4-oxobutanal;   4-(3-pyridyl)-4-oxobutyraldehyde;   4-oxo-1-(3-pyridyl)-1-butanone;   4-oxo-4-(3-pyridinebutanal);   4-oxo-4-(3-pyridyl)butanal;   4-oxo-4-pyridin-3-yl-butyraldehyde;   Formula=C9H9NO2;   InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2;   InChIKey=CFONOJVUTZAMCB-UHFFFAOYSA-N;   SMILES=O=CCCC(=O)c1cccnc1;   gamma-oxo-3-pyridinebutanal
 xref: CAS:76014-80-7;   KEGG:C19567
 xref_mesh: MESH:C062145
 xref: MetaCyc:CPD-14100;   PMID:22267672;   PMID:2519721;   PMID:7471055;   Reaxys:907964



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4-oxo-4-(pyridin-3-yl)butanal term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2a1 cytochrome P450, family 2, subfamily a, polypeptide 1 multiple interactions
increases abundance
ISO [CYP2A13 protein results in increased metabolism of 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone] which results in increased abundance of 4-oxo-4-(3-pyridinebutanal); [CYP2A13 protein results in increased metabolism of N'-nitrosonornicotine] which results in increased abundance of 4-oxo-4-(3-pyridinebutanal)
CYP2A13 protein results in increased abundance of 4-oxo-4-(3-pyridinebutanal)
CTD PMID:27567546 NCBI chr 1:82,231,611...82,244,887
Ensembl chr 1:82,231,611...82,244,887
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      application 19498
        solvent 16635
          formic acid 8820
            formyl group 8793
              aldehyde 8793
                butanals 3318
                  4-oxo-4-(pyridin-3-yl)butanal 1
                    4-oxo-4-(pyridin-3-yl)butanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      carboxylic acid 18346
                                        carboacyl group 17469
                                          univalent carboacyl group 17469
                                            formyl group 8793
                                              aldehyde 8793
                                                butanals 3318
                                                  4-oxo-4-(pyridin-3-yl)butanal 1
                                                    4-oxo-4-(pyridin-3-yl)butanoic acid 0
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