octacosanoic acid (CHEBI:31001)

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ChEBI Name	octacosanoic acid

ChEBI ID	CHEBI:31001

Definition	A straight-chain saturated fatty acid that is octacosane in which one of the terminal methyl groups has been oxidised to the corresponding carboxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	qingping liu

Secondary ChEBI IDs	CHEBI:132862

Supplier Information	ChemicalBook:CB0331386, eMolecules:494663, ZINC000006920382

Download	Molfile XML SDF

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Formula

C28H56O2

Net Charge

Average Mass

424.744

Monoisotopic Mass

424.42803

InChI

InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)

InChIKey

UTOPWMOLSKOLTQ-UHFFFAOYSA-N

SMILES

C(CCCCCCCCCCCCCCCC)CCCCCCCCCCC(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	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	octacosanoic acid (CHEBI:31001) has role plant metabolite (CHEBI:76924) octacosanoic acid (CHEBI:31001) is a straight-chain saturated fatty acid (CHEBI:39418) octacosanoic acid (CHEBI:31001) is a ultra-long-chain fatty acid (CHEBI:143004) octacosanoic acid (CHEBI:31001) is conjugate acid of octacosanoate (CHEBI:31002)

Incoming	ω-hydroxyoctacosanoic acid (CHEBI:84863) has functional parent octacosanoic acid (CHEBI:31001) (R)-3-hydroxyoctacosanoyl-CoA (CHEBI:76472) has functional parent octacosanoic acid (CHEBI:31001) 2-hydroxyoctacosanoic acid (CHEBI:85340) has functional parent octacosanoic acid (CHEBI:31001) 26-methyloctacosanoic acid (CHEBI:84885) has functional parent octacosanoic acid (CHEBI:31001) N-octacosanoylsphingosine (CHEBI:83364) has functional parent octacosanoic acid (CHEBI:31001) lysophosphatidylcholine 28:0 (CHEBI:85561) has functional parent octacosanoic acid (CHEBI:31001) octacosanoyl-CoA (CHEBI:74150) has functional parent octacosanoic acid (CHEBI:31001) octacosanoate (CHEBI:31002) is conjugate base of octacosanoic acid (CHEBI:31001)

IUPAC Name

octacosanoic acid

Last Modified

30 January 2019

General Comments
2011-01-15	Found in human brain and visceral organs.
2011-01-15	Formed from octacosanol via beta-oxidation.