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CHEBI:63980 - 18-hydroxy-18-oxo-dinorleukotriene B4

Default Structure
ChEBI IDCHEBI:63980
ChEBI Name18-hydroxy-18-oxo-dinorleukotriene B4
Stars
ASCII Name18-hydroxy-18-oxo-dinorleukotriene B4
DefinitionAn octadecatetraenedioic acid obtained by oxidative degradation of leukotriene B4, a process that results in the removal of C19 and C20 with concomitant dioxygenation of C18.
Last Modified24 February 2012
Submittermwilliams
DownloadsMolfile
FormulaC18H26O6
Net Charge0
Average Mass338.400
Monoisotopic Mass338.17294
SMILESO=C(O)CC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/b2-1+,6-3-,9-4+,10-5-/t15-,16+/m0/s1
InChIKeyXWRIIHRGMKHPHN-USRRKILKSA-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)
18-hydroxy-18-oxo-dinorleukotriene B4 (CHEBI:63980) has functional parent leukotriene B4 (CHEBI:15647)
18-hydroxy-18-oxo-dinorleukotriene B4 (CHEBI:63980) has role metabolite (CHEBI:25212)
18-hydroxy-18-oxo-dinorleukotriene B4 (CHEBI:63980) is a octadecatetraenedioic acid (CHEBI:64013)
IUPAC Name 
(4Z,7R,8E,10E,12Z,14S)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
Synonyms  Source
18-Carboxy-19,20-dinorleukotriene B4ChemIDplus
18-carboxy-dinorleukotriene B4ChEBI
18-carboxy dinor LTB4SUBMITTER
18-Cooh-19,20-ltb4ChemIDplus
18-COOH dinor LTB4SUBMITTER
18-hydroxy-18-oxo-19,20-dinorleukotriene B4ChEBI
Registry NumbersSources
Reaxys:8356778Reaxys
CAS:102674-12-4ChemIDplus
Citations