CHEBI:63979 - 20-oxoleukotriene B4

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ChEBI Name 20-oxoleukotriene B4
ChEBI ID CHEBI:63979
ChEBI ASCII Name 20-oxoleukotriene B4
Definition A leukotriene that is leukotriene B4 bearing an additional oxo substituent at position 20.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information ZINC000087520194
Download Molfile XML SDF
Formula C20H30O5
Net Charge 0
Average Mass 350.44920
Monoisotopic Mass 350.20932
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)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
InChIKey LVLQYGYNBVIONY-PSPARDEHSA-N
SMILES O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 20-oxoleukotriene B4 (CHEBI:63979) has functional parent icosa-6,8,10,14-tetraenoic acid (CHEBI:36045)
20-oxoleukotriene B4 (CHEBI:63979) has role metabolite (CHEBI:25212)
20-oxoleukotriene B4 (CHEBI:63979) is a ω-oxo fatty acid (CHEBI:76328)
20-oxoleukotriene B4 (CHEBI:63979) is a dihydroxy monocarboxylic acid (CHEBI:35972)
20-oxoleukotriene B4 (CHEBI:63979) is a hydroxyaldehyde (CHEBI:50413)
20-oxoleukotriene B4 (CHEBI:63979) is a leukotriene (CHEBI:25029)
20-oxoleukotriene B4 (CHEBI:63979) is a long-chain fatty acid (CHEBI:15904)
20-oxoleukotriene B4 (CHEBI:63979) is a polyunsaturated fatty acid (CHEBI:26208)
20-oxoleukotriene B4 (CHEBI:63979) is conjugate acid of 20-oxoleukotriene B4(1−) (CHEBI:90720)
Incoming 20-oxoleukotriene B4(1−) (CHEBI:90720) is conjugate base of 20-oxoleukotriene B4 (CHEBI:63979)
IUPAC Name
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
Synonyms Sources
20-Aldehyde leukotriene B4 ChemIDplus
20-OXO-LTB4 SUBMITTER
20cho-LTB4 SUBMITTER
Leukotriene B4-20-aldehyde ChemIDplus
Ltb4-20-aldehyde ChemIDplus
Registry Number Type Source
115609-68-2 CAS Registry Number ChemIDplus
Citations Types Sources
2155662 PubMed citation Europe PMC
2549038 PubMed citation Europe PMC
2836406 PubMed citation Europe PMC
Last Modified
19 January 2016