CHEBI:52421 - 3-oxohexacosanoic acid

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ChEBI Name 3-oxohexacosanoic acid
ChEBI ID CHEBI:52421
Definition A very long-chain fatty acid that is hexacosanoic acid carrying a β-oxo substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H50O3
Net Charge 0
Average Mass 410.674
Monoisotopic Mass 410.37600
InChI InChI=1S/C26H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(27)24-26(28)29/h2-24H2,1H3,(H,28,29)
InChIKey PJQXMTFEXFYZCU-UHFFFAOYSA-N
SMILES C(CCCCCCC(CC(=O)O)=O)CCCCCCCCCCCCCCCC
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-oxohexacosanoic acid (CHEBI:52421) has functional parent hexacosanoic acid (CHEBI:31009)
3-oxohexacosanoic acid (CHEBI:52421) is a 3-oxo fatty acid (CHEBI:134416)
3-oxohexacosanoic acid (CHEBI:52421) is a very long-chain fatty acid (CHEBI:27283)
Incoming 3-oxohexacosanoyl-CoA (CHEBI:52977) has functional parent 3-oxohexacosanoic acid (CHEBI:52421)
IUPAC Name
3-oxohexacosanoic acid
Synonyms Sources
3-oxocerotic acid ChEBI
β-oxocerotic acid ChEBI
β-oxohexacosanoic acid ChEBI
Last Modified
06 February 2017