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CHEBI:146983 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-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-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:146983
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-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-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC62H104N4O44
Net Charge0
Average Mass1609.498
Monoisotopic Mass1608.60234
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[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]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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,9,8/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4-2-3-2-4-3/a3-b1_a6-e1_b3-c1_c2-d1_e4-f1_f3-g1_g3-h1_g4-i1
InChIInChI=1S/C62H104N4O44/c1-14-31(77)39(85)43(89)58(95-14)108-51-30(66-19(6)76)57(103-25(12-72)48(51)105-60-45(91)41(87)33(79)20(7-67)99-60)109-52-36(82)23(10-70)100-61(46(52)92)104-47-24(11-71)102-55(27(38(47)84)63-16(3)73)94-13-26-37(83)49(28(54(93)97-26)64-17(4)74)106-56-29(65-18(5)75)50(35(81)22(9-69)98-56)107-62-53(42(88)34(80)21(8-68)101-62)110-59-44(90)40(86)32(78)15(2)96-59/h14-15,20-62,67-72,77-93H,7-13H2,1-6H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t14-,15-,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+,47+,48+,49+,50+,51+,52-,53+,54?,55+,56-,57-,58-,59-,60-,61-,62-/m0/s1
InChIKeyJZBICAJWHVHVJO-YDMDASIBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-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-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:146983) is a amino sugar (CHEBI:28963)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)]GalNAcSUBMITTER
Manual XrefsDatabases
G09424UTGlyTouCan
G09424UTGlyGen