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3''-deamino-3''-oxonicotianamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM1631

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₁₂H₁₆N₂O₇

charge

-2

mass

300.26472

reference

InChIKey

PSBHIGYNXQIUQY-YUMQZZPRSA-L

InChI

InChI=1S/C12H18N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-8,13H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t7-,8-/m0/s1

SMILES

[O-]C(=O)[C@H](CCN1CC[C@H]1C([O-])=O)[NH2+]CCC(=O)C([O-])=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58685 chebi:58685	3''-deamino-3''-oxonicotianamine (2S)-1-{(3S)-3-carboxylato-3-[(3-carboxylato-3-oxopropyl)azaniumyl]propyl}azetidinium-2-carboxylate 3''-deamino-3''-oxonicotianaminium(1-)
kegg.compound:C15486 keggC:C15486	3''-Deamino-3''-oxonicotianamine
seed.compound:cpd11173 seedM:cpd11173	3''-Deamino-3''-oxonicotianamine 3''-deamino-3''-oxonicotianamine
metacyc.compound:CPD-7228 metacycM:CPD-7228	3''-deamino-3''-oxonicotianamine
CHEBI:38160 chebi:38160	3''-deamino-3''-oxonicotianamine (2S)-1-{(3S)-3-carboxy-3-[(3-carboxy-3-oxopropyl)amino]propyl}azetidine-2-carboxylic acid
keggC:M_C15486 seedM:M_cpd11173	secondary/obsolete/fantasy identifier