CHEBI:178013 - 4-Acetyl-3-methylpyridine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-Acetyl-3-methylpyridine
ChEBI ID CHEBI:178013
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H9NO
Net Charge 0
Average Mass 135.166
Monoisotopic Mass 135.06841
InChI InChI=1S/C8H9NO/c1-6-5-9-4-3-8(6)7(2)10/h3-5H,1-2H3
InChIKey MWTAIRKNMHLZBS-UHFFFAOYSA-N
SMILES O=C(C1=C(C)C=NC=C1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Acetyl-3-methylpyridine (CHEBI:178013) is a aromatic ketone (CHEBI:76224)
IUPAC Name
1-(3-methylpyridin-4-yl)ethanone
Manual Xrefs Databases
10488520 ChemSpider
HMDB0040224 HMDB
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