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3-epihydroxymugineate

PropertiesImage
MNX_IDMNXM4330 Image of MNXM4330
referencechebi:58488
formulaC12H18N2O9
global charge-2
mol weight334.281
InChIKeyQPIOQLJXMZWNFJ-LJASKYJCSA-L
InChIInChI=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
SMILESO=C([O-])[C@@H]([NH2+]CC[C@H](O)C(=O)[O-])[C@@H](O)CN1C[C@H](O)[C@H]1C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM4330
SMILES (mnx)[CH2:1]([CH2:2][NH:13][C@@H:8]([C@H:6]([CH2:3][N:14]1[CH2:4][C@H:7]([OH:17])[C@H:9]1[C:12](=[O:22])[OH:23])[OH:16])[C:11](=[O:20])[OH:21])[C@@H:5]([C:10](=[O:18])[OH:19])[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:58488
chebi:58488
QPIOQLJXMZWNFJ-LJASKYJCSA-L 		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
QPIOQLJXMZWNFJ-LJASKYJCSA-N 		3-Epihydroxymugineic acid

seed.compound:cpd11183
seedM:cpd11183
QPIOQLJXMZWNFJ-LJASKYJCSA-L 		3-Epihydroxymugineic acid
3-epihydroxymugineate
3-epihydroxymugineic acid
epiHMA

CHEBI:20013
chebi:20013
QPIOQLJXMZWNFJ-LJASKYJCSA-N 		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
QPIOQLJXMZWNFJ-LJASKYJCSA-L 		3-epihydroxymugineate
3-epihydroxymugineic acid
epiHMA

keggC:M_C15501
seedM:M_cpd11183 		secondary/obsolete/fantasy identifier