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CHEBI:34301 - 2-oxodecanoic acid

ChEBI IDCHEBI:34301
ChEBI Name2-oxodecanoic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is decanoic acid carrying an oxo group at position 2.
Last Modified28 June 2021
DownloadsMolfile
FormulaC10H18O3
Net Charge0
Average Mass186.251
Monoisotopic Mass186.12559
SMILESCCCCCCCCC(=O)C(=O)O
InChIInChI=1S/C10H18O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h2-8H2,1H3,(H,12,13)
InChIKeyJBFDBSZCFDASAE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alexandrium tamarense (ncbitaxon:2926) - PubMed (24172212)
Vitis vinifera (ncbitaxon:29760) - PubMed (29938203)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
2-oxodecanoic acid (CHEBI:34301) has functional parent decanoic acid (CHEBI:30813)
2-oxodecanoic acid (CHEBI:34301) has role algal metabolite (CHEBI:84735)
2-oxodecanoic acid (CHEBI:34301) has role plant metabolite (CHEBI:76924)
2-oxodecanoic acid (CHEBI:34301) is a 2-oxo monocarboxylic acid (CHEBI:35910)
2-oxodecanoic acid (CHEBI:34301) is conjugate acid of 2-oxodecanotate (CHEBI:176592)
Incoming Relation(s)
2-oxodecanotate (CHEBI:176592) is conjugate base of 2-oxodecanoic acid (CHEBI:34301)
IUPAC Name 
2-oxodecanoic acid
Synonyms  Source
2-oxo capric acidLIPID MAPS
2-ketocapric acidChEBI
2-oxocapric acidChEBI
α-ketocapric acidChEBI
2-oxo-decanoic acidLIPID MAPS
Manual XrefsDatabases
C13945KEGG COMPOUND
LMFA01060001LIPID MAPS
228032ChemSpider
Registry NumbersSources
CAS:333-60-8ChEBI
Citations