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mugineate

PropertiesImage
MNX_IDMNXM2400 Image of MNXM2400
referencechebi:77826
formulaC12H19N2O8
global charge-1
mol weight319.29
InChIKeyGJRGEVKCJPPZIT-JBDRJPRFSA-M
InChIInChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/p-1/t6-,7-,8-,9-/m0/s1
SMILESO=C([O-])[C@@H]([NH2+]CC[C@H](O)C(=O)[O-])[C@@H](O)C[NH+]1CC[C@H]1C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-,9-/m0/s1 Image of MNXM2400
SMILES (mnx)[CH2:1]([CH2:3][NH:13][C@@H:9]([C@H:8]([CH2:5][N:14]1[CH2:4][CH2:2][C@H:6]1[C:10](=[O:17])[OH:18])[OH:16])[C:12](=[O:21])[OH:22])[C@@H:7]([C:11](=[O:19])[OH:20])[OH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77826
chebi:77826
GJRGEVKCJPPZIT-JBDRJPRFSA-M 		mugineate
(2S)-1-[(2S,3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]azaniumyl}-2-hydroxypropyl]azetidinium-2-carboxylate
mugineate(1-)

kegg.compound:C15500
keggC:C15500
GJRGEVKCJPPZIT-JBDRJPRFSA-N 		Mugineic acid

seed.compound:cpd11182
seedM:cpd11182
GJRGEVKCJPPZIT-JBDRJPRFSA-L 		Mugineic acid
mugineate
mugineic acid

CHEBI:58505
chebi:58505
GJRGEVKCJPPZIT-JBDRJPRFSA-L 		mugineate(2-)
(2S)-1-[(2S,3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]ammonio}-2-hydroxypropyl]azetidine-2-carboxylate

metacyc.compound:CPD-7231
metacycM:CPD-7231
GJRGEVKCJPPZIT-JBDRJPRFSA-L 		mugineate
mugineic acid

CHEBI:25426
chebi:25426
GJRGEVKCJPPZIT-JBDRJPRFSA-N 		mugineic acid
4-[(2S)-2-carboxyazetidin-1-yl]-N-[(3S)-3-carboxy-3-hydroxypropyl]-L-allothreonine
N-(3-(3-Carboxypropylamino)-2-hydroxy-3-carboxypropyl)azetidine-2-carboxylic acid

keggC:M_C15500
seedM:M_cpd11182 		secondary/obsolete/fantasy identifier