Feedback

3-epihydroxymugineate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4330

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

formula

C₁₂H₁₈N₂O₉

charge

-2

mass

334.10233

reference

chebi:58488

InChIKey

QPIOQLJXMZWNFJ-LJASKYJCSA-L

InChI

InChI=1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)/p-2/t5-,6-,7-,8-,9-/m0/s1

SMILES

O=C([O-])[C@@H](O)CC[NH2+][C@H](C(=O)[O-])[C@@H](O)CN1C[C@H](O)[C@H]1C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58488 chebi:58488	3-epihydroxymugineate (2S,3S)-1-[(2S,3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]ammonio}-2-hydroxypropyl]-3-hydroxyazetidine-2-carboxylate 3-epi-3-hydroxymugineate(2-)
kegg.compound:C15501 keggC:C15501	3-Epihydroxymugineic acid
seed.compound:cpd11183 seedM:cpd11183	3-Epihydroxymugineic acid 3-epihydroxymugineate 3-epihydroxymugineic acid epiHMA
CHEBI:20013 chebi:20013	3-epi-3-hydroxymugineic acid 4-[(2S,3S)-2-carboxy-3-hydroxyazetidin-1-yl]-N-[(3S)-3-carboxy-3-hydroxypropyl]-L-allothreonine
metacyc.compound:CPD-7289 metacycM:CPD-7289	3-epihydroxymugineate 3-epihydroxymugineic acid epiHMA
keggC:M_C15501 seedM:M_cpd11183	secondary/obsolete/fantasy identifier