(S,R,R)-nicotianamine

Properties Image MNX_ID MNXM31895 reference chebi:38115 formula C12H21N3O6 global charge 0 mol weight 303.315 InChIKey KRGPXXHMOXVMMM-HLTSFMKQSA-N InChI InChI=1S/C12H21N3O6/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)/t7-,8-,9+/m1/s1 SMILES N[C@H](CCN[C@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H21N3O6/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)/t7-,8-,9+/m1/s1 SMILES (mnx) [CH2:1]([CH2:4][NH:14][C@H:8]([CH2:2][CH2:5][N:15]1[CH2:6][CH2:3][C@H: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]

Parent-child relations graph

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