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CHEBI:152726 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2-[(3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:152726
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2-[(3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H48N2O20
Net Charge0
Average Mass732.686
Monoisotopic Mass732.28004
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@@H](O)[C@@H](CO)OC(O)[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](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2112h-1x_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-4/a2-b1_a3-c1_c3-d1
InChIInChI=1S/C28H48N2O20/c1-7-15(36)20(41)21(42)28(44-7)50-24-23(18(39)11(5-32)45-25(24)43)49-27-14(30-9(3)35)22(17(38)12(6-33)47-27)48-26-13(29-8(2)34)19(40)16(37)10(4-31)46-26/h7,10-28,31-33,36-43H,4-6H2,1-3H3,(H,29,34)(H,30,35)/t7-,10+,11+,12+,13+,14+,15+,16+,17-,18-,19+,20+,21-,22+,23-,24+,25?,26+,27+,28-/m0/s1
InChIKeyFXGIIQBXODDKTO-FFMQGKMFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2-[(3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:152726) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)]-D-galacto-hexopyranoseSUBMITTER
GlcNAc(a1-3)GalNAc(a1-3)[Fuc(a1-2)]GalSUBMITTER
Manual XrefsDatabases
G63683ABGlyGen
G63683ABGlyTouCan