compound 0228127

Properties Image MNX_ID MNXM1186026 reference envipathM:...b879e42d00b8 formula C12H18N2O8 global charge -2 mol weight 318.282 InChIKey WDJVPIGENWSXNC-UHFFFAOYSA-L InChI InChI=1S/C12H20N2O8/c1-5(15)13-3-2-6-10(19)14-9(8(18)11(20)21)12(6,22)4-7(16)17/h6,8-10,14,18-19,22H,2-4H2,1H3,(H,13,15)(H,16,17)(H,20,21)/p-2 SMILES CC(=O)NCCC1C(O)NC(C(O)C(=O)[O-])C1(O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O8/c1-5(15)13-3-2-6-10(19)14-9(8(18)11(20)21)12(6,22)4-7(16)17/h6,8-10,14,18-19,22H,2-4H2,1H3,(H,13,15)(H,16,17)(H,20,21)/t6?,8?,9?,10?,12? SMILES (mnx) [CH3:1][C:5](=[N:13][CH2:3][CH2:2][CH:6]1[CH:10]([OH:19])[NH:14][CH:9]([CH:8]([C:11](=[O:20])[OH:21])[OH:18])[C:12]1([CH2:4][C:7](=[O:16])[OH:17])[OH:22])[OH:15]

Parent-child relations graph

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