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CHEBI:172594 - 12-Oxo-20-carboxy-leukotriene B4

ChEBI IDCHEBI:172594
ChEBI Name12-Oxo-20-carboxy-leukotriene B4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILESO=C(O)CCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O
InChIInChI=1S/C20H28O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,18,22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1
InChIKeyVLMCDTMNMDDMLC-NZXMSVEXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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-Oxo-20-carboxy-leukotriene B4 (CHEBI:172594) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(5R,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenedioic acid
Manual XrefsDatabases
30776624ChemSpider
HMDB0012550HMDB
LMFA03020047LIPID MAPS