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3''-deamino-3''-oxonicotianamine

PropertiesImage
MNX_IDMNXM1631 Image of MNXM1631
referencechebi:58685
formulaC12H17N2O7
global charge-1
mol weight301.275
InChIKeyPSBHIGYNXQIUQY-YUMQZZPRSA-M
InChIInChI=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-1/t7-,8-/m0/s1
SMILESO=C([O-])C(=O)CC[NH2+][C@@H](CC[NH+]1CC[C@H]1C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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)/t7-,8-/m0/s1 Image of MNXM1631
SMILES (mnx)[CH2:1]([CH2:4][NH:13][C@@H:7]([CH2:2][CH2:5][N:14]1[CH2:6][CH2:3][C@H:8]1[C:11](=[O:18])[OH:19])[C:10](=[O:16])[OH:17])[C:9]([C:12]([OH:20])=[O:21])=[O:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58685
chebi:58685
PSBHIGYNXQIUQY-YUMQZZPRSA-M 		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
PSBHIGYNXQIUQY-YUMQZZPRSA-N 		3''-Deamino-3''-oxonicotianamine

seed.compound:cpd11173
seedM:cpd11173
PSBHIGYNXQIUQY-YUMQZZPRSA-L 		3''-Deamino-3''-oxonicotianamine
3''-deamino-3''-oxonicotianamine

metacyc.compound:CPD-7228
metacycM:CPD-7228
PSBHIGYNXQIUQY-YUMQZZPRSA-M 		3''-deamino-3''-oxonicotianamine

CHEBI:38160
chebi:38160
PSBHIGYNXQIUQY-YUMQZZPRSA-N 		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