leukotriene-D4
Chemical Formula:
C25H39N2O6S
Molecular Weight:
495.653 Daltons
Monoisotopic Mass:
497.2685327491 Daltons
SMILES:
CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)[N+])C(CCCC([O-])=O)O
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)/p-1/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD66-21
RefMet:
LTD4
ChEBI:
63166
Reactome:
266074
Seed:
cpd03540
MetaNetX:
MNXM885
KEGG:
C05951