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CHEBI:134520 - 12,20-dioxoleukotriene B4

ChEBI IDCHEBI:134520
ChEBI Name12,20-dioxoleukotriene B4
Stars
ASCII Name12,20-dioxoleukotriene B4
DefinitionA member of the class of leukotrienes that is leukotriene B4 in which the hydroxy group at position 12 has been oxidised to the corresponding ketone and the methyl group at position 20 replaced by a hydroxy group.
Last Modified5 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESO=CCCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H28O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17,19,23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t19-/m1/s1
InChIKeyCPTWPKCLDUXOKW-RBQYXHKQSA-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)
12,20-dioxoleukotriene B4 (CHEBI:134520) has functional parent leukotriene B4 (CHEBI:15647)
12,20-dioxoleukotriene B4 (CHEBI:134520) is a enone (CHEBI:51689)
12,20-dioxoleukotriene B4 (CHEBI:134520) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
12,20-dioxoleukotriene B4 (CHEBI:134520) is a long-chain fatty acid (CHEBI:15904)
12,20-dioxoleukotriene B4 (CHEBI:134520) is a secondary allylic alcohol (CHEBI:134396)
12,20-dioxoleukotriene B4 (CHEBI:134520) is a ω-oxo fatty acid (CHEBI:76328)
12,20-dioxoleukotriene B4 (CHEBI:134520) is conjugate acid of 12,20-dioxoleukotriene B4(1−) (CHEBI:133436)
Incoming Relation(s)
12,20-dioxoleukotriene B4(1−) (CHEBI:133436) is conjugate base of 12,20-dioxoleukotriene B4 (CHEBI:134520)
IUPAC Name 
(5S,6Z,8E,10E,14Z)-5-hydroxy-12,20-dioxoicosa-6,8,10,14-tetraenoic acid
Synonyms  Source
12,20-dioxo-LTB4ChEBI
12,20-dioxo-leukotriene B4ChEBI
Manual XrefsDatabases
HMDB0060094HMDB