CHEBI:66879 - 4-oxo-4-(pyridin-3-yl)butanal

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ChEBI Name 4-oxo-4-(pyridin-3-yl)butanal ChEBI ID CHEBI:66879 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H9NO2 Net Charge 0 Average Mass 163.17330 Monoisotopic Mass 163.06333 InChI 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 ChEBI Ontology Outgoing 4-oxo-4-(pyridin-3-yl)butanal (CHEBI:66879) is a aromatic ketone (CHEBI:76224) 4-oxo-4-(pyridin-3-yl)butanal (CHEBI:66879) is a butanals (CHEBI:22939) 4-oxo-4-(pyridin-3-yl)butanal (CHEBI:66879) is a pyridines (CHEBI:26421) Incoming 4-oxo-4-(pyridin-3-yl)butanoic acid (CHEBI:66951) has functional parent 4-oxo-4-(pyridin-3-yl)butanal (CHEBI:66879) IUPAC Name 4-oxo-4-(pyridin-3-yl)butanal Synonyms Sources 3-succinoylsemialdehyde-pyridine SUBMITTER 4-(3-pyridyl)-4-oxobutanal ChEBI 4-(3-pyridyl)-4-oxobutyraldehyde ChEBI 4-oxo-1-(3-pyridyl)-1-butanone KEGG COMPOUND 4-oxo-4-(3-pyridinebutanal) ChemIDplus 4-oxo-4-(3-pyridyl)butanal ChEBI 4-oxo-4-(pyridin-3-yl)butanal UniProt 4-oxo-4-pyridin-3-yl-butyraldehyde ChEBI gamma-Oxo-3-pyridinebutanal KEGG COMPOUND γ-oxo-3-pyridinebutanal ChemIDplus Manual Xrefs Databases C19567 KEGG COMPOUND CPD-14100 MetaCyc View more database links Registry Numbers Types Sources 76014-80-7 CAS Registry Number KEGG COMPOUND 76014-80-7 CAS Registry Number ChemIDplus 907964 Reaxys Registry Number Reaxys Citations Types Sources 22267672 PubMed citation SUBMITTER 2519721 PubMed citation Europe PMC 7471055 PubMed citation Europe PMC Last Modified 28 July 2014

General Comment 2012-08-02 Needed for the reaction: 4-(methylamino)-1-(pyridin-3-yl)butan-1-one + H2O + O2 = 4-oxo-4-(pyridin-3-yl)butanal + methylamine + H2O2.