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CHEBI:154883 - N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:154883
ChEBI NameN-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC54H91N3O40
Net Charge0
Average Mass1422.303
Monoisotopic Mass1421.51788
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)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](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,8,7/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-5-6-5/a4-b1_b3-c1_b4-h1_c4-d1_d3-e1_e3-f1_f3-g1
InChIInChI=1S/C54H91N3O40/c1-12-26(68)33(75)36(78)51(83-12)94-43-25(57-15(4)67)50(86-17(6-59)28(43)70)95-44-29(71)18(7-60)88-53(37(44)79)96-45-30(72)19(8-61)87-52(38(45)80)91-40-21(10-63)89-49(24(32(40)74)56-14(3)66)97-46-39(81)54(92-41-20(9-62)84-47(82)35(77)34(41)76)90-22(11-64)42(46)93-48-23(55-13(2)65)31(73)27(69)16(5-58)85-48/h12,16-54,58-64,68-82H,5-11H2,1-4H3,(H,55,65)(H,56,66)(H,57,67)/t12-,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+,47+,48-,49-,50-,51-,52-,53+,54-/m0/s1
InChIKeyRVOOJVNIAZZYEO-WYWRZBMMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154883) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)GalNAc(b1-3)Gal(a1-3)Gal(b1-4)GlcNAc(b1-3)[GalNAc(b1-4)]Gal(b1-4)b-GlcSUBMITTER
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