3-hydroxymugineic acid

Properties Image MNX_ID MNXM36538 reference chebi:38158 formula C12H20N2O9 global charge 0 mol weight 336.297 InChIKey QPIOQLJXMZWNFJ-PQFOHKHZSA-N InChI InChI=1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)/t5-,6-,7+,8-,9-/m0/s1 SMILES O=C(O)[C@@H](NCC[C@H](O)C(=O)O)[C@@H](O)CN1C[C@@H](O)[C@H]1C(=O)O MNX internals InChI (mnx) InChI=1/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)/t5-,6-,7+,8-,9-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][NH:13][C@@H:8]([C@H:6]([CH2:3][N:14]1[CH2:4][C@@H:7]([OH:17])[C@H:9]1[C:12](=[O:22])[OH:23])[OH:16])[C:11](=[O:20])[OH:21])[C@@H:5]([C:10](=[O:18])[OH:19])[OH:15]

Parent-child relations graph

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