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CHEBI:68669 - N,N-diacetyllegionaminate

ChEBI IDCHEBI:68669
ChEBI NameN,N-diacetyllegionaminate
Stars
ASCII NameN,N-diacetyllegionaminate
DefinitionA carbohydrate acid derivative anion that is the conjugate base of N,N-diacetyllegionaminic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified11 October 2012
SubmitterKAX
DownloadsMolfile
FormulaC13H21N2O8
Net Charge-1
Average Mass333.317
Monoisotopic Mass333.13034
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)/p-1/t5-,8+,9-,10-,11+,13+/m1/s1
InChIKeyZJOSXOOPEBJBMC-DAJNMGJPSA-M
ChEBI Ontology
Outgoing Relation(s)
N,N-diacetyllegionaminate (CHEBI:68669) is a carbohydrate acid derivative anion (CHEBI:63551)
N,N-diacetyllegionaminate (CHEBI:68669) is conjugate base of N,N-diacetyllegionaminic acid (CHEBI:68682)
Incoming Relation(s)
N,N-diacetyllegionaminic acid (CHEBI:68682) is conjugate acid of N,N-diacetyllegionaminate (CHEBI:68669)
IUPAC Name 
5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-β-D-galacto-non-2-ulopyranosonate
Synonyms  Source
5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonateSUBMITTER
N,N-diacetyllegionaminate anionChEBI
N,N-diacetyllegionaminate(1−)ChEBI
(6S)-5-acetamido-6-[(1R,2R)-1-acetamido-2-hydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonateIUPAC
UniProt Name  Source
N,N-diacetyllegionaminateUniProt
Manual XrefsDatabases
CPD-13166MetaCyc
Citations