Fe(II)-nicotianamine

Properties Image MNX_ID MNXM97535 reference metacycM:CPD-10157 formula C12H21FeN3O6 global charge 2 mol weight 359.16 InChIKey JIBPFVLGFJYRFE-IWKQBAGXSA-N InChI InChI=1S/C12H21N3O6.Fe/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21;/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21);/q;+2/t7-,8-,9?;/m0./s1 SMILES [Fe+2].[NH3+][C@@H](CC[NH2+][C@@H](CC[NH+]1CCC1C(=O)[O-])C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H21N3O6.Fe/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21;/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21);/q;+2/t7-,8-,9?;/m0./s1 SMILES (mnx) [CH2:1]([CH2:4][NH:14][C@@H:8]([CH2:2][CH2:5][N:15]1[CH2:6][CH2:3][CH:9]1[C:12](=[O:20])[OH:21])[C:11](=[O:18])[OH:19])[C@@H:7]([C:10](=[O:16])[OH:17])[NH2:13].[Fe+2:22]

Parent-child relations graph

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