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CHEBI:31001 - octacosanoic acid

Default Structure
ChEBI IDCHEBI:31001
ChEBI Nameoctacosanoic acid
Stars
DefinitionA straight-chain saturated fatty acid that is octacosane in which one of the terminal methyl groups has been oxidised to the corresponding carboxy group.
Secondary ChEBI IDCHEBI:132862
Last Modified30 January 2019
SubmitterKirill Degtyarenko, liuqingping
DownloadsMolfile
FormulaC28H56O2
Net Charge0
Average Mass424.754
Monoisotopic Mass424.42803
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=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)
InChIKeyUTOPWMOLSKOLTQ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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 Relation(s)
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 Relation(s)
(R)-3-hydroxyoctacosanoyl-CoA (CHEBI:76472) has functional parent octacosanoic acid (CHEBI:31001)
N-octacosanoylsphingosine (CHEBI:83364) 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)
lysophosphatidylcholine 28:0 (CHEBI:85561) has functional parent octacosanoic acid (CHEBI:31001)
octacosanoyl-CoA (CHEBI:74150) has functional parent octacosanoic acid (CHEBI:31001)
ω-hydroxyoctacosanoic acid (CHEBI:84863) has functional parent octacosanoic acid (CHEBI:31001)
octacosanoate (CHEBI:31002) is conjugate base of octacosanoic acid (CHEBI:31001)
IUPAC Name 
octacosanoic acid
Synonyms  Source
1-octacosanoic acidChEBI
CH3‒[CH2]26‒COOHIUPAC
n-octacosanoic acidChEBI
n-octaeicosanoic acidChEBI
montanic acidNIST Chemistry WebBook
OctacosancarbonsäureChEBI
Manual XrefsDatabases
HMDB0002348HMDB
LMFA01010028LIPID MAPS
Montanic_acidWikipedia
Registry NumbersSources
Reaxys:1801616Reaxys
CAS:506-48-9NIST Chemistry WebBook
CAS:506-48-9ChemIDplus
Citations