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CHEBI:147912 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-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:147912
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-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
FormulaC36H61N3O25
Net Charge0
Average Mass935.880
Monoisotopic Mass935.35941
SMILESCC(=O)N[C@@H]1[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]4NC(C)=O)[C@H]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-1-4/a3-b1_b2-c1_b3-d1_d3-e1
InChIInChI=1S/C36H61N3O25/c1-9-20(47)26(53)27(54)35(56-9)64-31-30(24(51)16(8-43)60-36(31)62-28-18(38-11(3)45)32(55)57-14(6-41)22(28)49)63-34-19(39-12(4)46)29(23(50)15(7-42)59-34)61-33-17(37-10(2)44)25(52)21(48)13(5-40)58-33/h9,13-36,40-43,47-55H,5-8H2,1-4H3,(H,37,44)(H,38,45)(H,39,46)/t9-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24-,25+,26+,27-,28+,29+,30-,31+,32-,33+,34+,35-,36-/m0/s1
InChIKeyGPDDTUALRJQRKM-AOCPYEECSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-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:147912) is a amino sugar (CHEBI:28963)
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)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
GlcNAc(a1-3)GalNAc(a1-3)[Fuc(a1-2)]Gal(b1-3)a-GalNAcSUBMITTER
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