O-citryl-L-serine

Properties Image MNX_ID MNXM12498 reference metacycM:CPD-12576 formula C9H11NO9 global charge -2 mol weight 277.185 InChIKey VUCUBBUVSXVGGY-HBSVBABPSA-L InChI InChI=1S/C9H13NO9/c10-4(7(14)15)3-19-6(13)2-9(18,8(16)17)1-5(11)12/h4,18H,1-3,10H2,(H,11,12)(H,14,15)(H,16,17)/p-2/t4-,9?/m0/s1 SMILES [NH3+][C@@H](COC(=O)CC(O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H13NO9/c10-4(7(14)15)3-19-6(13)2-9(18,8(16)17)1-5(11)12/h4,18H,1-3,10H2,(H,11,12)(H,14,15)(H,16,17)/t4-,9?/m0/s1 SMILES (mnx) [CH2:1]([C:5](=[O:11])[OH:12])[C:9]([CH2:2][C:6](=[O:13])[O:19][CH2:3][C@@H:4]([C:7](=[O:14])[OH:15])[NH2:10])([C:8](=[O:16])[OH:17])[OH:18]

Parent-child relations graph

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