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CHEBI:156793 - (2S,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:156793
ChEBI Name(2S,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H32N2O14
Net Charge0
Average Mass512.465
Monoisotopic Mass512.18535
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O][Aad21122h-2b_2-6_5*NCC/3=O]/1-2/a6-b2
InChIInChI=1S/C19H32N2O14/c1-6(23)20-11-8(25)3-19(18(31)32,35-16(11)13(27)9(26)4-22)33-5-10-14(28)15(29)12(17(30)34-10)21-7(2)24/h8-17,22,25-30H,3-5H2,1-2H3,(H,20,23)(H,21,24)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17+,19-/m0/s1
InChIKeyCZOGCRVBCLRHQJ-IFFCIQPOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:156793) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranoseSUBMITTER
NeuAc(b2-6)b-GalNAcSUBMITTER
Manual XrefsDatabases
G55129DTGlyGen
G55129DTGlyTouCan