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CHEBI:58684 - 3-epi-3-hydroxy-2'-deoxymugineate

ChEBI IDCHEBI:58684
ChEBI Name3-epi-3-hydroxy-2'-deoxymugineate
Stars
ASCII Name3-epi-3-hydroxy-2'-deoxymugineate
DefinitionConjugate base of 3-epi-3-hydroxy-2'-deoxymugineic acid.
Last Modified7 July 2015
DownloadsMolfile
FormulaC12H18N2O8
Net Charge-2
Average Mass318.282
Monoisotopic Mass318.10741
SMILESO=C([O-])[C@H](CCN1C[C@H](O)[C@H]1C(=O)[O-])[NH2+]CC[C@H](O)C(=O)[O-]
InChIInChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-6(10(17)18)2-4-14-5-8(16)9(14)12(21)22/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/p-2/t6-,7-,8-,9-/m0/s1
InChIKeyUQYFTKWTXJZWBK-JBDRJPRFSA-L
ChEBI Ontology
Outgoing Relation(s)
3-epi-3-hydroxy-2'-deoxymugineate (CHEBI:58684) is a tricarboxylic acid dianion (CHEBI:36300)
3-epi-3-hydroxy-2'-deoxymugineate (CHEBI:58684) is conjugate base of 3-epi-3-hydroxy-2'-deoxymugineic acid (CHEBI:38159)
Incoming Relation(s)
3-epi-3-hydroxy-2'-deoxymugineic acid (CHEBI:38159) is conjugate acid of 3-epi-3-hydroxy-2'-deoxymugineate (CHEBI:58684)
IUPAC Name 
(2S,3S)-1-[(3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]aziniumyl}propyl]-3-hydroxyazetidine-2-carboxylate
UniProt Name  Source
3-epihydroxy-2'-deoxymugineateUniProt