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CHEBI:184064 - Leukotriene d4 methyl ester

ChEBI IDCHEBI:184064
ChEBI NameLeukotriene d4 methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42N2O6S
Net Charge0
Average Mass510.697
Monoisotopic Mass510.27636
SMILESCCCCC/C=C\C/C=C\C=C/C=C\C(SCC(N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)OC
InChIInChI=1S/C26H42N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(29)16-15-18-25(32)34-2)35-20-21(27)26(33)28-19-24(30)31/h7-8,10-14,17,21-23,29H,3-6,9,15-16,18-20,27H2,1-2H3,(H,28,33)(H,30,31)/b8-7-,11-10-,13-12-,17-14-/t21?,22-,23?/m0/s1
InChIKeyPVGJCQKBOXAJIF-YIWIDSIYSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Leukotriene d4 methyl ester (CHEBI:184064) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[2-amino-3-[(5S,7Z,9Z,11Z,14Z)-5-hydroxy-1-methoxy-1-oxoicosa-7,9,11,14-tetraen-6-yl]sulanylpropanoyl]amino]acetic acid
Manual XrefsDatabases
21467579ChemSpider