MOLI001182

Molecular Formula: C₂₅H₃₉NO₆S

InChI: InChI=1/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21?,22-,23+/m0/s1/i20-1/f/h26,29,31H

InChIKey: InChIKey=BGGYAYMMFYBWEX-FTBLUPJFHX
SMILES: CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)NC(=O)C

Names:
    MOLI001182
    (5S,6R,7E,9E,11Z,14Z)-6-(2-acetamido-2-carboxy-ethyl)sulfanyl-5-hydroxy-icosa-7,9,11,14-tetraenoic acid

Registries:
    PubChem CID 5462111
    PubChem ID 1124