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CHEBI:68682 - N,N-diacetyllegionaminic acid

ChEBI IDCHEBI:68682
ChEBI NameN,N-diacetyllegionaminic acid
Stars
ASCII NameN,N-diacetyllegionaminic acid
DefinitionA ketoaldonic acid derivative that is β-neuraminic acid in which the hydroxy groups at positions 7 and 9 are substituted by an acetamido group and hydrogen respectively.
Last Modified11 October 2012
SubmitterSteve
DownloadsMolfile
FormulaC13H22N2O8
Net Charge0
Average Mass334.325
Monoisotopic Mass334.13762
SMILES[H][C@@]1([C@H](NC(C)=O)[C@@H](C)O)O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8+,9-,10-,11+,13+/m1/s1
InChIKeyZJOSXOOPEBJBMC-DAJNMGJPSA-N
ChEBI Ontology
Outgoing Relation(s)
N,N-diacetyllegionaminic acid (CHEBI:68682) has functional parent β-neuraminic acid (CHEBI:49022)
N,N-diacetyllegionaminic acid (CHEBI:68682) is a amino sugar (CHEBI:28963)
N,N-diacetyllegionaminic acid (CHEBI:68682) is a ketoaldonic acid derivative (CHEBI:63394)
N,N-diacetyllegionaminic acid (CHEBI:68682) is conjugate acid of N,N-diacetyllegionaminate (CHEBI:68669)
Incoming Relation(s)
N,N-diacetyllegionaminate (CHEBI:68669) is conjugate base of N,N-diacetyllegionaminic acid (CHEBI:68682)
IUPAC Name 
5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-β-D-galacto-non-2-ulopyranosonic acid
Synonym  Source
(6S)-5-acetamido-6-[(1R,2R)-1-acetamido-2-hydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonic acidIUPAC
Manual XrefsDatabases
CPD-13166MetaCyc
Registry NumbersSources
Reaxys:8868156Reaxys
Citations