3-epihydroxy-2'-deoxymugineate

Properties Image MNX_ID MNXM4329 reference chebi:58684 formula C12H18N2O8 global charge -2 mol weight 318.282 InChIKey UQYFTKWTXJZWBK-JBDRJPRFSA-L InChI InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-6(10(17)18)2-4-14-5-8(16)9(14)12(21)22/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/p-2/t6-,7-,8-,9-/m0/s1 SMILES O=C([O-])[C@H](CCN1C[C@H](O)[C@H]1C(=O)[O-])[NH2+]CC[C@H](O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O8/c15-7(11(19)20)1-3-13-6(10(17)18)2-4-14-5-8(16)9(14)12(21)22/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-,9-/m0/s1 SMILES (mnx) [CH2:1]([CH2:3][NH:13][C@@H:6]([CH2:2][CH2:4][N:14]1[CH2:5][C@H:8]([OH:16])[C@H:9]1[C:12](=[O:21])[OH:22])[C:10](=[O:17])[OH:18])[C@@H:7]([C:11](=[O:19])[OH:20])[OH:15]

Parent-child relations graph

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