CHEBI:52351 - 3-oxodocosanoic acid

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ChEBI Name 3-oxodocosanoic acid
ChEBI ID CHEBI:52351
Definition The 3-oxo monocarboxylic acid which has docasanoic (behenic) acid as the parent acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H42O3
Net Charge 0
Average Mass 354.568
Monoisotopic Mass 354.31340
InChI InChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25/h2-20H2,1H3,(H,24,25)
InChIKey GLJSCOCOXZOMDN-UHFFFAOYSA-N
SMILES C(CCCCCCCCCCCC)CCCCCCC(CC(=O)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-oxodocosanoic acid (CHEBI:52351) has functional parent docosanoic acid (CHEBI:28941)
3-oxodocosanoic acid (CHEBI:52351) is a 3-oxo monocarboxylic acid (CHEBI:47881)
Incoming 3-oxodocosanoyl-CoA (CHEBI:52328) has functional parent 3-oxodocosanoic acid (CHEBI:52351)
IUPAC Name
3-oxodocosanoic acid
Synonym Source
3-oxobehenic acid ChEBI
Manual Xref Database
LMFA01060142 LIPID MAPS
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Registry Number Type Source
1799737 Beilstein Registry Number Beilstein
Last Modified
23 September 2015