CHEBI:68682 - N,N-diacetyllegionaminic acid

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ChEBI Name N,N-diacetyllegionaminic acid ChEBI ID CHEBI:68682 ChEBI ASCII Name N,N-diacetyllegionaminic acid Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H22N2O8 Net Charge 0 Average Mass 334.32240 Monoisotopic Mass 334.13762 InChI InChI=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 InChIKey ZJOSXOOPEBJBMC-DAJNMGJPSA-N SMILES [H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](NC(C)=O)[C@@H](C)O ChEBI Ontology Outgoing 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 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 acid IUPAC Manual Xref Database CPD-13166 MetaCyc View more database links Registry Number Type Source 8868156 Reaxys Registry Number Reaxys Citation Type Source 18275154 PubMed citation Europe PMC Last Modified 11 October 2012