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CHEBI:155700 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:155700
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC42H71N3O29
Net Charge0
Average Mass1082.022
Monoisotopic Mass1081.41732
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](OC[C@H]3OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-4-3/a3-b1_a6-d1_b2-c1_d3-e1_d4-f1
InChIInChI=1S/C42H71N3O29/c1-10-22(52)28(58)31(61)40(65-10)71-33-17(8-48)70-38(21(45-14(5)51)35(33)73-39-19(43-12(3)49)27(57)24(54)15(6-46)68-39)64-9-18-26(56)34(20(37(63)67-18)44-13(4)50)72-42-36(30(60)25(55)16(7-47)69-42)74-41-32(62)29(59)23(53)11(2)66-41/h10-11,15-42,46-48,52-63H,6-9H2,1-5H3,(H,43,49)(H,44,50)(H,45,51)/t10-,11-,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-/m0/s1
InChIKeyZVCYXJMPMQOONH-YFBZOEQLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:155700) is a amino sugar (CHEBI:28963)
Synonyms  Source
Fuc(a1-2)Gal(b1-3)[GlcNAc(b1-3)[Fuc(a1-4)]GlcNAc(b1-6)]GalNAcSUBMITTER
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G93909NHGlyTouCan
G93909NHGlyGen