CHEBI:31001 - octacosanoic acid

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ChEBI Name octacosanoic acid
ChEBI ID CHEBI:31001
Definition A C28, very long straight-chain, saturated fatty acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Secondary ChEBI IDs CHEBI:132862
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Formula C28H56O2
Net Charge 0
Average Mass 424.744
Monoisotopic Mass 424.428
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.
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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 very long-chain fatty acid (CHEBI:27283)
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-hydroxymontanoyl-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)
montanoyl-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
Synonyms Sources
1-octacosanoic acid ChEBI
CH3‒[CH2]26‒COOH IUPAC
montanic acid NIST Chemistry WebBook
n-octacosanoic acid ChEBI
n-octaeicosanoic acid ChEBI
Octacosancarbonsäure ChEBI
Octacosansäure ChEBI
octacosoic acid ChEBI
octaeicosanoic acid ChEBI
Database Links Databases
HMDB0002348 HMDB
LMFA01010028 LIPID MAPS
Montanic_acid Wikipedia
View more database links
Registry Numbers Types Sources
1801616 Beilstein Registry Number Beilstein
1801616 Reaxys Registry Number Reaxys
506-48-9 CAS Registry Number ChemIDplus
506-48-9 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
15376388 PubMed citation Europe PMC
15847942 PubMed citation Europe PMC
24218964 PubMed citation Europe PMC
2474624 PubMed citation Europe PMC
Last Modified
09 August 2016
General Comments
2011-01-15 Found in human brain and visceral organs.
2011-01-15 Formed from octacosanol via beta-oxidation.