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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 19918
    role 19894
      application 19729
        solvent 17050
          formic acid 9050
            formyl group 9012
              aldehyde 9012
                butanals 3334
                  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 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19811
                        carbon atom 19806
                          organic molecular entity 19806
                            organic group 18995
                              organic divalent group 18969
                                organodiyl group 18969
                                  carbonyl group 18922
                                    carbonyl compound 18922
                                      carboxylic acid 18646
                                        carboacyl group 17727
                                          univalent carboacyl group 17727
                                            formyl group 9012
                                              aldehyde 9012
                                                butanals 3334
                                                  4-oxo-4-(pyridin-3-yl)butanal 1
                                                    4-oxo-4-(pyridin-3-yl)butanoic acid 0
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