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CHEBI:156597 - (4S,5R,6R)-5-Acetamido-2-[(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:156597
ChEBI Name(4S,5R,6R)-5-Acetamido-2-[(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC31H52N2O24
Net Charge0
Average Mass836.747
Monoisotopic Mass836.29100
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(O[C@H]2[C@@H](O)[C@@H](CO)OC(O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O[C@H]4[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a1122h-1b_1-5][a2122h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][Aad21122h-2x_2-6_5*NCC/3=O]/1-2-3-4/a2-b1_b4-c1_c3-d2
InChIInChI=1S/C31H52N2O24/c1-8(38)32-15-10(40)3-31(30(49)50,56-24(15)17(42)11(41)4-34)57-25-19(44)13(6-36)52-29(22(25)47)54-23-14(7-37)53-28(16(20(23)45)33-9(2)39)55-26-21(46)18(43)12(5-35)51-27(26)48/h10-29,34-37,40-48H,3-7H2,1-2H3,(H,32,38)(H,33,39)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25-,26-,27+,28?,29?,31?/m0/s1
InChIKeyBJOHFALIQGGDQK-NYPNTPKZSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,6R)-5-Acetamido-2-[(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:156597) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->3)-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->2)-beta-D-manno-hexopyranoseSUBMITTER
NeuAc(?2-3)Gal(?1-4)GlcNAc(?1-2)b-ManSUBMITTER
Manual XrefsDatabases
G58686JLGlyGen
G58686JLGlyTouCan