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nicotianamine

PropertiesImage
MNX_IDMNXM732378 Image of MNXM732378
referencechebi:58249
formulaC12H21N3O6
global charge0
mol weight303.315
InChIKeyKRGPXXHMOXVMMM-CIUDSAMLSA-N
InChIInChI=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 Image of MNXM732378
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)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

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
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