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CHEBI:28666 - leukotriene D4

ChEBI IDCHEBI:28666
ChEBI Nameleukotriene D4
Stars
ASCII Nameleukotriene D4
DefinitionA 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).
Secondary ChEBI IDsCHEBI:6423, CHEBI:25026
Last Modified21 February 2017
DownloadsMolfile
FormulaC25H40N2O6S
Net Charge0
Average Mass496.670
Monoisotopic Mass496.26071
SMILESCCCCC/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
InChIInChI=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
InChIKeyYEESKJGWJFYOOK-IJHYULJSSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
bronchoconstrictor agent  A drug which causes a narrowing of the lumen of a bronchus or bronchiole.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
Leukotriene D4KEGG COMPOUND
LTD4KEGG COMPOUND
5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acidLIPID MAPS
(R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)glycineChemIDplus
Manual XrefsDatabases
C05951KEGG COMPOUND
LMFA03020006LIPID MAPS
HMDB0003080HMDB
Leukotriene_D4Wikipedia
Registry NumbersSources
Reaxys:4726738Reaxys
CAS:73836-78-9ChemIDplus
CAS:73836-78-9KEGG COMPOUND
Citations