4-hydroxy-2-nonenal-N-acetyl-L-cysteine

Properties Image MNX_ID MNXM97409 reference metacycM:CPD-14707 formula C14H24NO5S global charge -1 mol weight 318.415 InChIKey RMPMZCPVBQOHTK-HIFPTAJRSA-M InChI InChI=1S/C14H25NO5S/c1-3-4-5-6-12(18)13(7-8-16)21-9-11(14(19)20)15-10(2)17/h8,11-13,18H,3-7,9H2,1-2H3,(H,15,17)(H,19,20)/p-1/t11-,12?,13?/m0/s1 SMILES CCCCCC(O)C(CC=O)SC[C@H](NC(C)=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H25NO5S/c1-3-4-5-6-12(18)13(7-8-16)21-9-11(14(19)20)15-10(2)17/h8,11-13,18H,3-7,9H2,1-2H3,(H,15,17)(H,19,20)/t11-,12?,13?/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH:12]([CH:13]([CH2:7][CH:8]=[O:16])[S:21][CH2:9][C@@H:11]([C:14](=[O:19])[OH:20])[N:15]=[C:10]([CH3:2])[OH:17])[OH:18]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0