**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

nicotianamine

Properties Image MNX_ID MNXM732378 reference chebi:58249 formula C12H21N3O6 global charge 0 mol weight 303.315 InChIKey KRGPXXHMOXVMMM-CIUDSAMLSA-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-/m0/s1 SMILES [NH3+][C@@H](CC[NH2+][C@@H](CC[NH+]1CC[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-/m0/s1 SMILES (mnx) [CH2:1]([CH:2]([N:14]([CH3:12])=[NH:13])[OH:21])[CH2:6][CH2:5][C@@H:3]([CH2:7][CH2:4][CH:8]1[O:16]([O:18](=[O:17])[OH:19])[NH:15][O:20]1)[C:9]([CH3:10])=[CH2:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3

Similar chemical compounds in external resources

Identifier	Description
CHEBI:58249 chebi:58249 KRGPXXHMOXVMMM-CIUDSAMLSA-N	nicotianamine (2S)-1-[(3S)-3-{[(3S)-3-ammonio-3-carboxylatopropyl]ammonio}-3-carboxylatopropyl]azetidinium-2-carboxylate (2S)-1-[(3S)-3-{[(3S)-3-azaniumyl-3-carboxylatopropyl]azaniumyl}-3-carboxylatopropyl]azetidinium-2-carboxylate (S,S,S)-nicotianamine trizwitterion (S,S,S)-nicotianamine zwitterion
CHEBI:62921 chebi:62921 KRGPXXHMOXVMMM-CIUDSAMLSA-M	(S,S,S)-nicotianamine monoanion (2S)-1-[(3S)-3-{[(3S)-3-amino-3-carboxylatopropyl]amino}-3-carboxylatopropyl]azetidine-2-carboxylate (2S)-1-[(3S)-3-{[(3S)-3-ammonio-3-carboxylatopropyl]amino}-3-carboxylatopropyl]azetidinium-2-carboxylate (2S)-1-[(3S)-3-{[(3S)-3-azaniumyl-3-carboxylatopropyl]amino}-3-carboxylatopropyl]azetidinium-2-carboxylate
CHEBI:17721 chebi:17721 KRGPXXHMOXVMMM-CIUDSAMLSA-N	(S,S,S)-nicotianamine (2S)-1-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]azetidine-2-carboxylic acid Nicotianamine
metacyc.compound:CPD-463 metacycM:CPD-463 KRGPXXHMOXVMMM-CIUDSAMLSA-N	L-nicotianamine (S,S,S)-nicotianamine
kegg.compound:C05324 keggC:C05324 vmhM:nctmn vmhM:nctmn vmhmetabolite:nctmn vmhmetabolite:nctmn KRGPXXHMOXVMMM-CIUDSAMLSA-N	Nicotianamine
seed.compound:cpd03158 seedM:cpd03158 KRGPXXHMOXVMMM-CIUDSAMLSA-N	Nicotianamine (S,S,S)-nicotianamine L-nicotianamine NA nicotianamine
chebi:14644 chebi:7555 keggC:M_C05324 seedM:M_cpd03158 vmhM:M_nctmn	secondary/obsolete/fantasy identifier