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CHEBI:79195 - 21-hydroxyhenicosanoic acid

ChEBI IDCHEBI:79195
ChEBI Name21-hydroxyhenicosanoic acid
Stars
DefinitionAn ω-hydroxy-long-chain fatty acid that is henicosanoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group.
Last Modified15 June 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H42O3
Net Charge0
Average Mass342.564
Monoisotopic Mass342.31340
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C21H42O3/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23)24/h22H,1-20H2,(H,23,24)
InChIKeyNENJNFMRWQAPAC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
21-hydroxyhenicosanoic acid (CHEBI:79195) has functional parent henicosanoic acid (CHEBI:39248)
21-hydroxyhenicosanoic acid (CHEBI:79195) is a straight-chain saturated fatty acid (CHEBI:39418)
21-hydroxyhenicosanoic acid (CHEBI:79195) is a ω-hydroxy-long-chain fatty acid (CHEBI:140997)
21-hydroxyhenicosanoic acid (CHEBI:79195) is conjugate acid of 21-hydroxyhenicosanoate (CHEBI:140695)
Incoming Relation(s)
(3R)-3,21-dihydroxyhenicosanoic acid (CHEBI:79294) has functional parent 21-hydroxyhenicosanoic acid (CHEBI:79195)
oscr#38 (CHEBI:79160) has functional parent 21-hydroxyhenicosanoic acid (CHEBI:79195)
21-hydroxyhenicosanoate (CHEBI:140695) is conjugate base of 21-hydroxyhenicosanoic acid (CHEBI:79195)
IUPAC Name 
21-hydroxyhenicosanoic acid
Synonyms  Source
ω-hydroxyhenicosanoic acidChEBI
21-hydroxyheneicosanoic acidChEBI
ω-hydroxyheneicosanoic acidChEBI
Manual XrefsDatabases
LMFA01050076LIPID MAPS
Registry NumbersSources
Reaxys:1795235Reaxys