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3-hydroxymugineic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM36538

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

formula

C₁₂H₂₀N₂O₉

charge

mass

336.11688

reference

chebi:38158

InChIKey

QPIOQLJXMZWNFJ-PQFOHKHZSA-N

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)/t5-,6-,7+,8-,9-/m0/s1

SMILES

O=C(O)[C@@H](O)CCN[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:38158 chebi:38158	3-hydroxymugineic acid 3-HMA 4-[(2S,3R)-2-carboxy-3-hydroxyazetidin-1-yl]-N-[(3S)-3-carboxy-3-hydroxypropyl]-L-allothreonine
hmdb:HMDB0033927	3-Hydroxymugineic acid 1-{3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]-2-hydroxypropyl}-3-hydroxyazetidine-2-carboxylate 1-{3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]-2-hydroxypropyl}-3-hydroxyazetidine-2-carboxylic acid 3-HMA 3-Hydroxymugineate
hmdb:HMDB33927	secondary/obsolete/fantasy identifier