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CHEBI:77826 - mugineate(1−)

Default Structure
ChEBI IDCHEBI:77826
ChEBI Namemugineate(1−)
Stars
ASCII Namemugineate(1-)
DefinitionA tricarboxylic acid anion that is the conjugate base of mugineic acid. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified6 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC12H19N2O8
Net Charge-1
Average Mass319.290
Monoisotopic Mass319.11469
SMILESO=C([O-])[C@@H]([NH2+]CC[C@H](O)C(=O)[O-])[C@@H](O)C[NH+]1CC[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-1/t6-,7-,8-,9-/m0/s1
InChIKeyGJRGEVKCJPPZIT-JBDRJPRFSA-M
ChEBI Ontology
Outgoing Relation(s)
mugineate(1−) (CHEBI:77826) is a tricarboxylic acid anion (CHEBI:35753)
mugineate(1−) (CHEBI:77826) is conjugate acid of mugineate(2−) (CHEBI:58505)
mugineate(1−) (CHEBI:77826) is conjugate base of mugineic acid (CHEBI:25426)
Incoming Relation(s)
mugineic acid (CHEBI:25426) is conjugate acid of mugineate(1−) (CHEBI:77826)
mugineate(2−) (CHEBI:58505) is conjugate base of mugineate(1−) (CHEBI:77826)
IUPAC Name 
(2S)-1-[(2S,3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]azaniumyl}-2-hydroxypropyl]azetidinium-2-carboxylate
UniProt Name  Source
mugineateUniProt