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CHEBI:78797 - henicosanoate

ChEBI IDCHEBI:78797
ChEBI Namehenicosanoate
Stars
DefinitionA long-chain fatty acid anion resulting from the deprotonation of the carboxy group of henicosanoic acid. Major species at pH 7.3.
Last Modified24 September 2019
Submitterabridge
DownloadsMolfile
FormulaC21H41O2
Net Charge-1
Average Mass325.557
Monoisotopic Mass325.31120
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)/p-1
InChIKeyCKDDRHZIAZRDBW-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
henicosanoate (CHEBI:78797) is a fatty acid anion 21:0 (CHEBI:78893)
henicosanoate (CHEBI:78797) is a long-chain fatty acid anion (CHEBI:57560)
henicosanoate (CHEBI:78797) is a straight-chain saturated fatty acid anion (CHEBI:58954)
henicosanoate (CHEBI:78797) is conjugate base of henicosanoic acid (CHEBI:39248)
Incoming Relation(s)
20-hydroxyhenicosanoate (CHEBI:140697) has functional parent henicosanoate (CHEBI:78797)
henicosanoic acid (CHEBI:39248) is conjugate acid of henicosanoate (CHEBI:78797)
IUPAC Name 
henicosanoate
UniProt Name  Source
heneicosanoateUniProt
Registry NumbersSources
Reaxys:3670885Reaxys