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CHEBI:147506 - N-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:147506
ChEBI NameN-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H61N3O26
Net Charge0
Average Mass951.879
Monoisotopic Mass951.35433
SMILESCC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]4NC(C)=O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5][a1122h-1b_1-5_2*NCC/3=O]/1-2-1-3-4/a3-b1_b3-c1_b4-d1_d4-e1
InChIInChI=1S/C36H61N3O26/c1-9(45)37-17-23(51)20(48)12(4-40)58-33(17)62-28-15(7-43)60-35(26(54)25(28)53)63-29-16(8-44)61-36(64-30-19(39-11(3)47)32(56)57-14(6-42)22(30)50)27(55)31(29)65-34-18(38-10(2)46)24(52)21(49)13(5-41)59-34/h12-36,40-44,48-56H,4-8H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/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+/m1/s1
InChIKeyHJUQEVDFBCPVDK-KDGFBMLUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:147506) is a amino sugar (CHEBI:28963)
Synonyms  Source
2-acetamido-2-deoxy-beta-D-manno-hexopyranosyl-(1->4)-alpha-D-galacto-hexopyranosyl-(1->4)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranoseSUBMITTER
ManNAc(b1-4)Gal(a1-4)[GalNAc(b1-3)]Gal(b1-3)b-GalNAcSUBMITTER
Manual XrefsDatabases
G11236BBGlyTouCan