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CHEBI:133346 - 12-oxo-20-hydroxyleukotriene B4(1−)

ChEBI IDCHEBI:133346
ChEBI Name12-oxo-20-hydroxyleukotriene B4(1−)
Stars
ASCII Name12-oxo-20-hydroxyleukotriene B4(1-)
DefinitionA leukotriene anion that is the conjugate base of 12-oxo-20-hydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified8 February 2017
Submitterlaimo
DownloadsMolfile
FormulaC20H29O5
Net Charge-1
Average Mass349.447
Monoisotopic Mass349.20205
SMILESO=C([O-])CCC[C@H](O)/C=C\C=C\C=C\C(=O)C/C=C\CCCCCO
InChIInChI=1S/C20H30O5/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/h3-5,7-9,13-14,19,21,23H,1-2,6,10-12,15-17H2,(H,24,25)/p-1/b5-4+,7-3-,13-8+,14-9-/t19-/m1/s1
InChIKeyCZWPUWRHQBAXJS-RBQYXHKQSA-M
ChEBI Ontology
Outgoing Relation(s)
12-oxo-20-hydroxyleukotriene B4(1−) (CHEBI:133346) is a leukotriene anion (CHEBI:62942)
12-oxo-20-hydroxyleukotriene B4(1−) (CHEBI:133346) is conjugate base of 12-oxo-20-hydroxyleukotriene B4 (CHEBI:134456)
Incoming Relation(s)
12-oxo-20-hydroxyleukotriene B4 (CHEBI:134456) is conjugate acid of 12-oxo-20-hydroxyleukotriene B4(1−) (CHEBI:133346)
IUPAC Name 
(5S,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxoicosa-6,8,10,14-tetraenoate
Synonym  Source
12-oxo-20-hydroxy-LTB4(1−)ChEBI
UniProt Name  Source
12-oxo-20-hydroxy-leukotriene B4UniProt