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CHEBI:134627 - leukotriene D3

ChEBI IDCHEBI:134627
ChEBI Nameleukotriene D3
Stars
ASCII Nameleukotriene D3
DefinitionA leukotriene that is (5S,7E,9E,11Z)-5-hydroxyicosa-7,9,11-trienoic acid in which an L-cysteinylglycinyl group is attached at position 6R via a sulfide linkage.
Last Modified21 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC25H42N2O6S
Net Charge0
Average Mass498.686
Monoisotopic Mass498.27636
SMILESCCCCCCCC/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/C25H42N2O6S/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/h9-13,16,20-22,28H,2-8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
InChIKeySBFPHBDUKAKWJL-OGQVOSTCSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (6273168)
Mus musculus (ncbitaxon:10090) - PubMed (6780563)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
leukotriene D3 (CHEBI:134627) has role mouse metabolite (CHEBI:75771)
leukotriene D3 (CHEBI:134627) has role rat metabolite (CHEBI:86264)
leukotriene D3 (CHEBI:134627) has role xenobiotic metabolite (CHEBI:76206)
leukotriene D3 (CHEBI:134627) is a dipeptide (CHEBI:46761)
leukotriene D3 (CHEBI:134627) is a leukotriene (CHEBI:25029)
leukotriene D3 (CHEBI:134627) is a organic sulfide (CHEBI:16385)
IUPAC Name 
S-[(4S,5R,6E,8E,10Z)-1-carboxy-4-hydroxynonadeca-6,8,10-trien-5-yl]-L-cysteinylglycine
Synonyms  Source
LTD3ChEBI
Leukotriene D-3ChemIDplus
5-Hydroxy-6-cysteinylglycine-7,9,11-eicosatrienoic acidChemIDplus
Manual XrefsDatabases
EP0106571Patent
Registry NumbersSources
Reaxys:6015329Reaxys
CAS:77165-74-3ChemIDplus
Citations