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CHEBI:147140 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-6-[(3S,4S,5R,6R)-2,3,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:147140
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-6-[(3S,4S,5R,6R)-2,3,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC46H78N2O36
Net Charge0
Average Mass1235.108
Monoisotopic Mass1234.43343
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O[C@H]3[C@H](O)[C@@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)OC(O)[C@H]3O)O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,7,6/[a1122h-1x_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-4-3-4-2/a3-b1_a6-g1_b2-c1_b4-e1_c4-d1_e4-f1
InChIInChI=1S/C46H78N2O36/c1-10(55)47-19-25(61)35(81-44-31(67)28(64)22(58)13(4-50)75-44)15(6-52)77-41(19)80-37-17(8-54)79-46(83-38-24(60)18(73-40(71)34(38)70)9-72-43-30(66)27(63)21(57)12(3-49)74-43)39(33(37)69)84-42-20(48-11(2)56)26(62)36(16(7-53)78-42)82-45-32(68)29(65)23(59)14(5-51)76-45/h12-46,49-54,57-71H,3-9H2,1-2H3,(H,47,55)(H,48,56)/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40?,41+,42+,43+,44+,45+,46-/m1/s1
InChIKeyOBTXAABMLILPSK-DSQFCEFOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-6-[(3S,4S,5R,6R)-2,3,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:147140) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->6)]-D-manno-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Man(a1-6)]ManSUBMITTER
Manual XrefsDatabases
G10363DVGlyTouCan
G10363DVGlyGen