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CHEBI:189886 - 12-epi Leukotriene B3

ChEBI IDCHEBI:189886
ChEBI Name12-epi Leukotriene B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O4
Net Charge0
Average Mass338.488
Monoisotopic Mass338.24571
SMILESCCCCCCCC[C@@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,10-11,14-15,18-19,21-22H,2-6,9,12-13,16-17H2,1H3,(H,23,24)/t18-,19-/m1/s1
InChIKeyNGTXCORNXNELNU-RTBURBONSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
12-epi Leukotriene B3 (CHEBI:189886) is a hydroxy fatty acid (CHEBI:24654)
12-epi Leukotriene B3 (CHEBI:189886) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name 
(5S,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
Manual XrefsDatabases
5042505ChemSpider