CHEBI:147492 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-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 ID CHEBI:147492
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C44H74N4O31
Net Charge 0
Average Mass 1155.073
Monoisotopic Mass 1154.43370
InChI InChI=1S/C44H74N4O31/c1-11(54)45-21-28(61)25(58)15(5-49)71-41(21)76-36-18(8-52)74-43(33(66)31(36)64)78-35-17(7-51)73-40(23(30(35)63)47-13(3)56)69-10-20-27(60)38(24(39(68)70-20)48-14(4)57)79-44-34(67)32(65)37(19(9-53)75-44)77-42-22(46-12(2)55)29(62)26(59)16(6-50)72-42/h15-44,49-53,58-68H,5-10H2,1-4H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)/t15-,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+/m1/s1
InChIKey WVKHXQMLRNKEPD-LVSITVDKSA-N
SMILES O([C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1NC(=O)C)CO[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H]5O[C@@H]([C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6NC(=O)C)CO)[C@H](O)[C@H]5O)CO
ChEBI Ontology
Outgoing N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-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:147492) is a amino sugar (CHEBI:28963)
Synonyms Sources
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose SUBMITTER
GlcNAc(b1-4)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-3)]GalNAc SUBMITTER
WURCS=2.0/4,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-4/a3-b1_a6-d1_b4-c1_d4-e1_e4-f1 SUBMITTER
Manual Xrefs Databases
G13858YJ GlyGen
G13858YJ GlyTouCan
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