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CHEBI:165804 - 11,12,13-TriHOME

ChEBI IDCHEBI:165804
ChEBI Name11,12,13-TriHOME
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H34O5
Net Charge0
Average Mass330.465
Monoisotopic Mass330.24062
SMILESCCCCCC(O)C(O)C(O)/C=C/CCCCCCCC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-9-12-15(19)18(23)16(20)13-10-7-5-4-6-8-11-14-17(21)22/h10,13,15-16,18-20,23H,2-9,11-12,14H2,1H3,(H,21,22)/b13-10+
InChIKeyWWLVUQOGFYZQHT-JLHYYAGUSA-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)
11,12,13-TriHOME (CHEBI:165804) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-11,12,13-trihydroxyoctadec-9-enoic acid
Manual XrefsDatabases
4446089ChemSpider
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