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CHEBI:72783 - 12-HHTrE

ChEBI IDCHEBI:72783
ChEBI Name12-HHTrE
Stars
DefinitionA trienoic fatty acid that consists of heptadeca-5,8,10-trienoic acid bearing an additional 12-hydroxy substituent.
Last Modified5 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC17H28O3
Net Charge0
Average Mass280.408
Monoisotopic Mass280.20384
SMILESCCCCCC(O)/C=C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5+,8-6+,14-11+
InChIKeyKUKJHGXXZWHSBG-GMPNNLDHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
12-HHTrE (CHEBI:72783) has functional parent heptadecanoic acid (CHEBI:32365)
12-HHTrE (CHEBI:72783) has role metabolite (CHEBI:25212)
12-HHTrE (CHEBI:72783) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
12-HHTrE (CHEBI:72783) is a long-chain fatty acid (CHEBI:15904)
12-HHTrE (CHEBI:72783) is a trienoic fatty acid (CHEBI:73155)
Incoming Relation(s)
12S-HHTrE (CHEBI:63977) is a 12-HHTrE (CHEBI:72783)
IUPAC Name 
12-hydroxyheptadeca-5,8,10-trienoic acid
Synonyms  Source
12-hydroxy-5,8,10-heptadecatrienoic acidLIPID MAPS
12-HHTChEBI
Manual XrefsDatabases
LMFA01050195LIPID MAPS
Registry NumbersSources
CAS:50683-78-8ChemIDplus