CHEBI:28666 - leukotriene D4

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ChEBI Name leukotriene D4
ChEBI ID CHEBI:28666
ChEBI ASCII Name leukotriene D4
Definition A leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and a L-cysteinylglycinyl group at position 6 (6R).
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6423, CHEBI:25026
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Formulae C25H40N2O6S
C25H40N2O6S
Net Charge 0
Average Mass 496.66000
Monoisotopic Mass 496.261
InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
InChIKey YEESKJGWJFYOOK-IJHYULJSSA-N
SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Application(s): bronchoconstrictor agent
A drug which causes a narrowing of the lumen of a bronchus or bronchiole.
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ChEBI Ontology
Outgoing leukotriene D4 (CHEBI:28666) has functional parent icosa-7,9,11,14-tetraenoic acid (CHEBI:36038)
leukotriene D4 (CHEBI:28666) has role bronchoconstrictor agent (CHEBI:50141)
leukotriene D4 (CHEBI:28666) has role human metabolite (CHEBI:77746)
leukotriene D4 (CHEBI:28666) has role mouse metabolite (CHEBI:75771)
leukotriene D4 (CHEBI:28666) is a dipeptide (CHEBI:46761)
leukotriene D4 (CHEBI:28666) is a leukotriene (CHEBI:25029)
leukotriene D4 (CHEBI:28666) is a organic sulfide (CHEBI:16385)
leukotriene D4 (CHEBI:28666) is conjugate acid of leukotriene D4(1−) (CHEBI:63166)
Incoming leukotriene D4(1−) (CHEBI:63166) is conjugate base of leukotriene D4 (CHEBI:28666)
IUPAC Name
S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteinylglycine
Synonyms Sources
(R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)glycine ChemIDplus
5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acid LIPID MAPS
Leukotriene D4 KEGG COMPOUND
LTD4 KEGG COMPOUND
Database Links Databases
C05951 KEGG COMPOUND
HMDB0003080 HMDB
Leukotriene_D4 Wikipedia
LMFA03020006 LIPID MAPS
View more database links
Registry Numbers Types Sources
4726738 Reaxys Registry Number Reaxys
73836-78-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23825762 PubMed citation Europe PMC
9160411 PubMed citation Europe PMC
Last Modified
21 February 2017