CHEBI:52350 - 3-oxoicosanoic acid

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ChEBI Name 3-oxoicosanoic acid
ChEBI ID CHEBI:52350
Definition A long-chain fatty acid that is icosanoic acid in which the hydrogens at the β-position are replaced by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H38O3
Net Charge 0
Average Mass 326.51390
Monoisotopic Mass 326.28210
InChI InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h2-18H2,1H3,(H,22,23)
InChIKey MZPZMTFDSVTILM-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-oxoicosanoic acid (CHEBI:52350) has functional parent icosanoic acid (CHEBI:28822)
3-oxoicosanoic acid (CHEBI:52350) is a 3-oxo monocarboxylic acid (CHEBI:47881)
3-oxoicosanoic acid (CHEBI:52350) is a long-chain fatty acid (CHEBI:15904)
Incoming 3-oxoicosanoyl-CoA (CHEBI:52327) has functional parent 3-oxoicosanoic acid (CHEBI:52350)
IUPAC Name
3-oxoicosanoic acid
Synonyms Sources
3-oxoarachidic acid ChEBI
3-oxoeicosanoic acid ChEBI
β-oxoarachidic acid ChEBI
β-oxoeicosanoic acid ChEBI
β-oxoicosanoic acid ChEBI
Manual Xref Database
LMFA01060134 LIPID MAPS
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Registry Number Type Source
1796542 Beilstein Registry Number Beilstein
Last Modified
21 May 2012