CHEBI:31002 - octacosanoate

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ChEBI Name octacosanoate
ChEBI ID CHEBI:31002
Definition A straight-chain saturated fatty acid anion and the conjugate base of octacosanoic acid (montanic acid), arising from deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C28H55O2
Net Charge -1
Average Mass 423.736
Monoisotopic Mass 423.42075
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)/p-1
InChIKey UTOPWMOLSKOLTQ-UHFFFAOYSA-M
SMILES C(CCCCCCCCCCCCCCCC)CCCCCCCCCCC([O-])=O
ChEBI Ontology
Outgoing octacosanoate (CHEBI:31002) is a fatty acid anion 28:0 (CHEBI:78130)
octacosanoate (CHEBI:31002) is a straight-chain saturated fatty acid anion (CHEBI:58954)
octacosanoate (CHEBI:31002) is a ultra-long-chain fatty acid anion (CHEBI:143005)
octacosanoate (CHEBI:31002) is conjugate base of octacosanoic acid (CHEBI:31001)
Incoming octacosanoic acid (CHEBI:31001) is conjugate acid of octacosanoate (CHEBI:31002)
IUPAC Name
octacosanoate
Synonyms Sources
1-octacosanoate ChEBI
CH3‒[CH2]26‒COO− IUPAC
montanate ChEBI
n-octacosanoate ChEBI
octaeicosanoate ChEBI
Citation Waiting for Citations Type Source
15513825 PubMed citation Europe PMC
Last Modified
01 February 2019
General Comment
2011-01-25 Common cosmetic ingredient, as glyceryl montanate.