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CHEBI:157317 - N-[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:157317
ChEBI NameN-[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H58N2O25
Net Charge0
Average Mass894.827
Monoisotopic Mass894.33287
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)O[C@H]1O
WURCSWURCS=2.0/5,5,4/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-4-5/a6-b1_b3-c1_c2-d1_c3-e1
InChIInChI=1S/C34H58N2O25/c1-8-17(42)23(48)25(50)32(54-8)61-29-28(60-33-26(51)24(49)18(43)11(4-37)57-33)21(46)13(6-39)58-34(29)59-27-16(36-10(3)41)31(56-12(5-38)20(27)45)53-7-14-19(44)22(47)15(30(52)55-14)35-9(2)40/h8,11-34,37-39,42-52H,4-7H2,1-3H3,(H,35,40)(H,36,41)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21-,22+,23+,24-,25-,26+,27+,28-,29+,30+,31+,32-,33+,34-/m0/s1
InChIKeyUQXVSBGHSVCLOY-KHNXZSFPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide (CHEBI:157317) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranoseSUBMITTER
Fuc(a1-2)[Gal(a1-3)]Gal(b1-3)GlcNAc(b1-6)b-GalNAcSUBMITTER
Manual XrefsDatabases
G03877ADGlyTouCan
G03877ADGlyGen