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CHEBI:58488 - 3-epi-3-hydroxymugineate(2−)

ChEBI IDCHEBI:58488
ChEBI Name3-epi-3-hydroxymugineate(2−)
Stars
ASCII Name3-epi-3-hydroxymugineate(2-)
DefinitionA doubly-charged tricarboxylic acid anion arising from deprotonation of the carboxy groups and protonation of the amino group of 3-epi-3-hydroxymugineic acid.
Last Modified16 May 2014
DownloadsMolfile
FormulaC12H18N2O9
Net Charge-2
Average Mass334.281
Monoisotopic Mass334.10233
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-]
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
InChIKeyQPIOQLJXMZWNFJ-LJASKYJCSA-L
ChEBI Ontology
Outgoing Relation(s)
3-epi-3-hydroxymugineate(2−) (CHEBI:58488) is a tricarboxylic acid anion (CHEBI:35753)
3-epi-3-hydroxymugineate(2−) (CHEBI:58488) is conjugate base of 3-epi-3-hydroxymugineic acid (CHEBI:20013)
Incoming Relation(s)
3-epi-3-hydroxymugineic acid (CHEBI:20013) is conjugate acid of 3-epi-3-hydroxymugineate(2−) (CHEBI:58488)
IUPAC Name 
(2S,3S)-1-[(2S,3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]ammonio}-2-hydroxypropyl]-3-hydroxyazetidine-2-carboxylate
UniProt Name  Source
3-epihydroxymugineateUniProt