CHEBI:68669 - N,N-diacetyllegionaminate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N,N-diacetyllegionaminate
ChEBI ID CHEBI:68669
ChEBI ASCII Name N,N-diacetyllegionaminate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C13H21N2O8
Net Charge -1
Average Mass 333.31440
Monoisotopic Mass 333.13034
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)/p-1/t5-,8+,9-,10-,11+,13+/m1/s1
InChIKey ZJOSXOOPEBJBMC-DAJNMGJPSA-M
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-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 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 Sources
(6S)-5-acetamido-6-[(1R,2R)-1-acetamido-2-hydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonate IUPAC
5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonate SUBMITTER
N,N-diacetyllegionaminate UniProt
N,N-diacetyllegionaminate anion ChEBI
N,N-diacetyllegionaminate(1−) ChEBI
Manual Xref Database
CPD-13166 MetaCyc
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Citation Type Source
18275154 PubMed citation SUBMITTER
Last Modified
11 October 2012