leukotriene C4

PubChem Notes:

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: C30H47N3O9S


InChI: InChI=1/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)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1/f/h32-33,36,38,41H

InChIKey: InChIKey=GWNVDXQDILPJIG-PIQZTKNLDT
SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[[email protected]@H](SC[[email protected]](NC(=O)CC[[email protected]](N)C(O)=O)C(=O)NCC(O)=O)[[email protected]@H](O)CCCC(O)=O

CAS number 72025-60-6

Names:
    C02166
    leukotriene C4
    Leukotriene C4
    leukotriene C4
    Leukotriene C4
    leukotriene C4
    LTC (sub 4)
    LTC4
    (R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-
    (5S,6R,7E,9E,11Z,14Z)-6-[(2S)-2-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-2-(carboxymethylcarbamoyl)ethyl]sulfanyl-5-hydroxy-icosa-7,9,11,14-tetraenoic acid
    5S,6R-Ltc(sub 4)
    5S-hydroxy,6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid
    72025-60-6

Registries:
    PubChem CID 5280493
    CAS 72025-60-6 (from NIST)
    ChEBI 16978
    Kegg C02166
    LIPID MAPS LMFA03020003
    PubChem ID 5241