CHEBI:134520 - 12,20-dioxoleukotriene B4

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ChEBI Name 12,20-dioxoleukotriene B4
ChEBI ID CHEBI:134520
ChEBI ASCII Name 12,20-dioxoleukotriene B4
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB41124723, ChemicalBook:CB8400042, ChemicalBook:CB1400043, eMolecules:901780
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Formula C20H28O5
Net Charge 0
Average Mass 348.434
Monoisotopic Mass 348.19367
InChI InChI=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
InChIKey CPTWPKCLDUXOKW-RBQYXHKQSA-N
SMILES C(C(/C=C/C=C/C=C\[C@H](CCCC(O)=O)O)=O)/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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 12,20-dioxoleukotriene B4 (CHEBI:134520) has functional parent leukotriene B4 (CHEBI:15647)
12,20-dioxoleukotriene B4 (CHEBI:134520) is a ω-oxo fatty acid (CHEBI:76328)
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 conjugate acid of 12,20-dioxoleukotriene B4(1−) (CHEBI:133436)
Incoming 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 Sources
12,20-dioxo-leukotriene B4 ChEBI
12,20-dioxo-LTB4 ChEBI
Manual Xref Database
HMDB0060094 HMDB
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Last Modified
05 March 2018