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CHEBI:142578 - 2-oxododecanoic acid

Default Structure
ChEBI IDCHEBI:142578
ChEBI Name2-oxododecanoic acid
Stars
DefinitionAn oxo fatty acid that is dodecanoic acid (lauric acid) which is substituted at position 2 by an oxo group.
Last Modified14 November 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H22O3
Net Charge0
Average Mass214.305
Monoisotopic Mass214.15689
SMILESCCCCCCCCCCC(=O)C(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h2-10H2,1H3,(H,14,15)
InChIKeyMIMUDKBBERJQHQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-oxododecanoic acid (CHEBI:142578) is a 2-oxo monocarboxylic acid (CHEBI:35910)
2-oxododecanoic acid (CHEBI:142578) is a ketone (CHEBI:17087)
2-oxododecanoic acid (CHEBI:142578) is a medium-chain fatty acid (CHEBI:59554)
2-oxododecanoic acid (CHEBI:142578) is a oxo fatty acid (CHEBI:59644)
2-oxododecanoic acid (CHEBI:142578) is conjugate acid of 2-oxododecanoate (CHEBI:142579)
2-oxododecanoic acid (CHEBI:142578) is tautomer of 2-hydroxydodec-2-enoic acid (CHEBI:142577)
Incoming Relation(s)
2-oxododecanoate (CHEBI:142579) is conjugate base of 2-oxododecanoic acid (CHEBI:142578)
2-hydroxydodec-2-enoic acid (CHEBI:142577) is tautomer of 2-oxododecanoic acid (CHEBI:142578)
IUPAC Name 
2-oxododecanoic acid
Synonyms  Source
2-ketododecanoic acidChEBI
2-Oxo-dodecansaeureChEBI
2-oxolauric acidChEBI
α-keto-dodecanoic acidChEBI
α-keto-lauric acidChEBI
Manual XrefsDatabases
LMFA01060090LIPID MAPS
Registry NumbersSources
Reaxys:1772378Reaxys
Citations