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3-epihydroxy-2'-deoxymugineate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4329

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₂H₁₈N₂O₈

charge

-2

mass

318.10741

reference

chebi:58684

InChIKey

UQYFTKWTXJZWBK-JBDRJPRFSA-L

InChI

InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-6(10(17)18)2-4-14-5-8(16)9(14)12(21)22/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/p-2/t6-,7-,8-,9-/m0/s1

SMILES

O=C([O-])[C@@H](O)CC[NH2+][C@@H](CCN1C[C@H](O)[C@H]1C(=O)[O-])C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58684 chebi:58684	3-epihydroxy-2'-deoxymugineate (2S,3S)-1-[(3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]aziniumyl}propyl]-3-hydroxyazetidine-2-carboxylate 3-epi-3-hydroxy-2'-deoxymugineate
kegg.compound:C15502 keggC:C15502	3-Epihydroxy-2'-deoxymugineic acid
seed.compound:cpd11184 seedM:cpd11184	3-Epihydroxy-2'-deoxymugineic acid 3-epihydroxy-2'-deoxymugineate 3-epihydroxy-2'-deoxymugineic acid epiHDMA
CHEBI:38159 chebi:38159	3-epi-3-hydroxy-2'-deoxymugineic acid (2S,3S)-1-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]-3-hydroxyazetidine-2-carboxylic acid
metacyc.compound:CPD-7291 metacycM:CPD-7291	3-epihydroxy-2'-deoxymugineate 3-epihydroxy-2'-deoxymugineic acid epiHDMA
keggC:M_C15502 seedM:M_cpd11184	secondary/obsolete/fantasy identifier