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CHEBI:17314 - 13-hydroxydocosanoic acid

ChEBI IDCHEBI:17314
ChEBI Name13-hydroxydocosanoic acid
Stars
DefinitionA C22 hydroxy fatty acid with the hydroxy group at the 13-position and intermediate in the synthesis of sophorosyloxydocosanoate; a yeast glycolipid with potential medical and chemical engineering applications.
Secondary ChEBI IDsCHEBI:750, CHEBI:19147
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H44O3
Net Charge0
Average Mass356.591
Monoisotopic Mass356.32905
SMILESCCCCCCCCCC(O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
InChIKeyBYCZEMFWXYCUSJ-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)
13-hydroxydocosanoic acid (CHEBI:17314) has functional parent docosanoic acid (CHEBI:28941)
13-hydroxydocosanoic acid (CHEBI:17314) is a hydroxy fatty acid (CHEBI:24654)
13-hydroxydocosanoic acid (CHEBI:17314) is a long-chain fatty acid (CHEBI:15904)
13-hydroxydocosanoic acid (CHEBI:17314) is conjugate acid of 13-hydroxydocosanoate (CHEBI:11320)
Incoming Relation(s)
13-hydroxydocosanoate (CHEBI:11320) is conjugate base of 13-hydroxydocosanoic acid (CHEBI:17314)
IUPAC Name 
13-hydroxydocosanoic acid
Synonyms  Source
13-Hydroxydocosanoic acidKEGG COMPOUND
HDAChEBI
13-HydroxydocosanoateKEGG COMPOUND
Manual XrefsDatabases
C03049KEGG COMPOUND
C03049KEGG COMPOUND
LMFA01050210LIPID MAPS
Registry NumbersSources
Reaxys:1795554Reaxys
CAS:13980-16-0ChemIDplus
Citations