leukotriene-C4
Chemical Formula:
C30H45N3O9S
Molecular Weight:
623.76 Daltons
Monoisotopic Mass:
626.3111258453 Daltons
SMILES:
CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)NC(CCC(C(=O)[O-])[N+])=O)C(CCCC([O-])=O)O
InChI:
1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/p-2/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
InChIKey:
Databases
MetaCyc:
LEUKOTRIENE-C4
RefMet:
LTC4
MetaboLights:
MTBLC57973
HMDB:
HMDB01198
ChEBI:
57973
KEGG:
C02166
CAS:
72025-60-6
Seed:
cpd01465
MetaNetX:
MNXM589