Analyte Name

N-methyl Leukotriene C4

CAS Number

131391-65-6

Molecular Formula

C31 H49 N3 O9 S

Molecular Weight

639.801

Accurate Mass

639.319

SMILES

CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](NC)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O

InChI

InChI=1S/C31H49N3O9S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(25(35)16-15-18-28(37)38)44-22-24(30(41)33-21-29(39)40)34-27(36)20-19-23(32-2)31(42)43/h7-8,10-14,17,23-26,32,35H,3-6,9,15-16,18-22H2,1-2H3,(H,33,41)(H,34,36)(H,37,38)(H,39,40)(H,42,43)/b8-7-,11-10-,13-12+,17-14+/t23-,24-,25-,26+/m0/s1

IUPAC

(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-3-(carboxymethylamino)-2-[[(4S)-4-carboxy-4-(methylamino)butanoyl]amino]-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat