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CHEBI:68668 - legionaminate(1+)

ChEBI IDCHEBI:68668
ChEBI Namelegionaminate(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of legionaminic acid obtained by protonation of both amino groups and deprotonation of the carboxy group; major species at pH 7.3.
Last Modified11 October 2012
SubmitterKAX
DownloadsMolfile
FormulaC9H19N2O6
Net Charge+1
Average Mass251.259
Monoisotopic Mass251.12376
SMILES[H][C@@]1([C@H]([NH3+])[C@@H](C)O)O[C@](O)(C(=O)[O-])C[C@H](O)[C@H]1[NH3+]
InChIInChI=1S/C9H18N2O6/c1-3(12)5(10)7-6(11)4(13)2-9(16,17-7)8(14)15/h3-7,12-13,16H,2,10-11H2,1H3,(H,14,15)/p+1/t3-,4+,5-,6-,7+,9+/m1/s1
InChIKeyZFZFJUIKYIVPNP-OWTNSLFHSA-O
ChEBI Ontology
Outgoing Relation(s)
legionaminate(1+) (CHEBI:68668) is a ammonium ion derivative (CHEBI:35274)
legionaminate(1+) (CHEBI:68668) is a organic cation (CHEBI:25697)
legionaminate(1+) (CHEBI:68668) is conjugate acid of legionaminic acid (CHEBI:68676)
Incoming Relation(s)
legionaminic acid (CHEBI:68676) is conjugate base of legionaminate(1+) (CHEBI:68668)
IUPAC Name 
(6S)-5-azaniumyl-6-[(1R,2R)-1-azaniumyl-2-hydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonate
Synonyms  Source
5,7-diammmonio-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonateSUBMITTER
legionaminate cationChEBI
(6S)-5-ammonio-6-[(1R,2R)-1-ammonio-2-hydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonateIUPAC
UniProt Name  Source
legionaminateUniProt
Citations