CHEBI:90720 - 20-oxoleukotriene B4(1−)

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ChEBI Name 20-oxoleukotriene B4(1−)
ChEBI ID CHEBI:90720
ChEBI ASCII Name 20-oxoleukotriene B4(1-)
Definition A leukotriene anion that is the conjugate base of 20-oxoleukotriene B4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C20H29O5
Net Charge -1
Average Mass 349.442
Monoisotopic Mass 349.20205
InChI InChI=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/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/p-1/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
InChIKey LVLQYGYNBVIONY-PSPARDEHSA-M
SMILES C([C@H](/C=C/C=C/C=C\[C@H](CCCC([O-])=O)O)O)/C=C\CCCCC=O
ChEBI Ontology
Outgoing 20-oxoleukotriene B4(1−) (CHEBI:90720) is a ω-oxo fatty acid anion (CHEBI:76309)
20-oxoleukotriene B4(1−) (CHEBI:90720) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
20-oxoleukotriene B4(1−) (CHEBI:90720) is a leukotriene anion (CHEBI:62942)
20-oxoleukotriene B4(1−) (CHEBI:90720) is conjugate base of 20-oxoleukotriene B4 (CHEBI:63979)
Incoming 20-oxoleukotriene B4 (CHEBI:63979) is conjugate acid of 20-oxoleukotriene B4(1−) (CHEBI:90720)
IUPAC Name
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoate
Synonym Source
20-oxo-leukotriene B4 UniProt
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Last Modified
20 January 2016