CHEBI:68668 - legionaminate(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name legionaminate(1+)
ChEBI ID CHEBI:68668
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C9H19N2O6
Net Charge +1
Average Mass 251.25700
Monoisotopic Mass 251.12376
InChI InChI=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
InChIKey ZFZFJUIKYIVPNP-OWTNSLFHSA-O
SMILES [H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1[NH3+])C([O-])=O)[C@H]([NH3+])[C@@H](C)O
ChEBI Ontology
Outgoing 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 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 Sources
(6S)-5-ammonio-6-[(1R,2R)-1-ammonio-2-hydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonate IUPAC
5,7-diammmonio-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonate SUBMITTER
legionaminate UniProt
legionaminate cation ChEBI
Citation Waiting for Citations Type Source
18275154 PubMed citation SUBMITTER
Last Modified
11 October 2012