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CHEBI:58505 - mugineate(2−)

Default Structure
ChEBI IDCHEBI:58505
ChEBI Namemugineate(2−)
Stars
ASCII Namemugineate(2-)
DefinitionDianionic form of mugineic acid.
Last Modified6 June 2014
DownloadsMolfile
FormulaC12H18N2O8
Net Charge-2
Average Mass318.282
Monoisotopic Mass318.10741
SMILESO=C([O-])[C@@H]([NH2+]CC[C@H](O)C(=O)[O-])[C@@H](O)CN1CC[C@H]1C(=O)[O-]
InChIInChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/p-2/t6-,7-,8-,9-/m0/s1
InChIKeyGJRGEVKCJPPZIT-JBDRJPRFSA-L
ChEBI Ontology
Outgoing Relation(s)
mugineate(2−) (CHEBI:58505) is a tricarboxylic acid anion (CHEBI:35753)
mugineate(2−) (CHEBI:58505) is conjugate base of mugineate(1−) (CHEBI:77826)
mugineate(2−) (CHEBI:58505) is conjugate base of mugineic acid (CHEBI:25426)
Incoming Relation(s)
mugineate(1−) (CHEBI:77826) is conjugate acid of mugineate(2−) (CHEBI:58505)
mugineic acid (CHEBI:25426) is conjugate acid of mugineate(2−) (CHEBI:58505)
IUPAC Name 
(2S)-1-[(2S,3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]ammonio}-2-hydroxypropyl]azetidine-2-carboxylate