leukotriene-C4

Leukotriene C4 The conjugation product of LEUKOTRIENE A4 and glutathione. It is the major arachidonic acid metabolite in macrophages and human mast cells as well as in antigen-sensitized lung tissue. It stimulates mucus secretion in the lung, and produces contractions of nonvascular and some vascular smooth muscle. (From Dictionary of Prostaglandins and Related Compounds, 1990)

Molecular Formula: C₃₁H₄₉N₃O₈S

InChI: InChI=1/C31H49N3O8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-27(26(36)16-15-18-29(38)39)43-22-25(30(40)33-21-23(2)35)34-28(37)20-19-24(32)31(41)42/h7-8,10-14,17,24-27,36H,3-6,9,15-16,18-22,32H2,1-2H3,(H,33,40)(H,34,37)(H,38,39)(H,41,42)/f/h33-34,38,41H

InChIKey: InChIKey=VGQBZHKBIHXHBO-GDUOBTRDCB
SMILES: CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)C)NC(=O)CCC(C(=O)O)N

Names:
    leukotriene-C4
    6-[2-[(4-amino-4-carboxy-butanoyl)amino]-2-(2-oxopropylcarbamoyl)ethyl]sulfanyl-5-hydroxy-icosa-7,9,11,14-tetraenoic acid
    72025-60-6

Registries:
    PubChem CID 859
    PubChem ID 2908