S-(4-hydroxy-nonenal-3-yl)-L-cysteinylglycine

Properties Image MNX_ID MNXM97407 reference metacycM:CPD-14705 formula C14H26N2O5S global charge 0 mol weight 334.438 InChIKey LQTWZQSULMRBEE-UNXYVOJBSA-N InChI InChI=1S/C14H26N2O5S/c1-2-3-4-5-11(18)12(6-7-17)22-9-10(15)14(21)16-8-13(19)20/h7,10-12,18H,2-6,8-9,15H2,1H3,(H,16,21)(H,19,20)/t10-,11?,12?/m0/s1 SMILES CCCCCC(O)C(CC=O)SC[C@H]([NH3+])C(=O)NCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H26N2O5S/c1-2-3-4-5-11(18)12(6-7-17)22-9-10(15)14(21)16-8-13(19)20/h7,10-12,18H,2-6,8-9,15H2,1H3,(H,16,21)(H,19,20)/t10-,11?,12?/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:11]([CH:12]([CH2:6][CH:7]=[O:17])[S:22][CH2:9][C@@H:10]([C:14](=[N:16][CH2:8][C:13](=[O:19])[OH:20])[OH:21])[NH2:15])[OH:18]

Parent-child relations graph

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