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CHEBI:58487 - 2'-deoxymugineate

ChEBI IDCHEBI:58487
ChEBI Name2'-deoxymugineate
Stars
DefinitionConjugate base of 2'-deoxymugineic acid.
Last Modified16 May 2014
DownloadsMolfile
FormulaC12H19N2O7
Net Charge-1
Average Mass303.291
Monoisotopic Mass303.11977
SMILESO=C([O-])[C@H](CC[NH+]1CC[C@H]1C(=O)[O-])[NH2+]CC[C@H](O)C(=O)[O-]
InChIInChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t7-,8-,9-/m0/s1
InChIKeyCUZKLRTTYZOCSD-CIUDSAMLSA-M
ChEBI Ontology
Outgoing Relation(s)
2'-deoxymugineate (CHEBI:58487) is a amino-acid zwitterion (CHEBI:35238)
2'-deoxymugineate (CHEBI:58487) is a tricarboxylic acid trianion (CHEBI:27092)
2'-deoxymugineate (CHEBI:58487) is conjugate base of 2'-deoxymugineic acid (CHEBI:19274)
Incoming Relation(s)
2'-deoxymugineic acid (CHEBI:19274) is conjugate acid of 2'-deoxymugineate (CHEBI:58487)
IUPAC Name 
(2S)-1-[(3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]ammonio}propyl]azetidinium-2-carboxylate
UniProt Name  Source
2'-deoxymugineateUniProt