CHEBI:151913 - N-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

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ChEBI Name N-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
ChEBI ID CHEBI:151913
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C34H60N2O26
Net Charge 0
Average Mass 912.842
Monoisotopic Mass 912.34343
InChI InChI=1S/C34H60N2O26/c1-9(42)35-11(3-37)28(60-34-27(54)30(21(48)15(6-40)58-34)62-33-26(53)24(51)20(47)14(5-39)57-33)18(45)12(44)8-55-31-17(36-10(2)43)22(49)29(16(7-41)59-31)61-32-25(52)23(50)19(46)13(4-38)56-32/h11-34,37-41,44-54H,3-8H2,1-2H3,(H,35,42)(H,36,43)/t11-,12+,13+,14+,15+,16+,17+,18-,19-,20-,21-,22+,23-,24-,25+,26+,27+,28+,29+,30-,31?,32-,33-,34-/m0/s1
InChIKey GRPWBNSAQUBRBA-RUSYCGGMSA-N
SMILES O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](NC(=O)C)C1OC[C@@H](O)[C@H](O)[C@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)CO)[C@@H](NC(=O)C)CO)CO
ChEBI Ontology
Outgoing N-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:151913) is a N-acyl-hexosamine (CHEBI:21656)
Synonym Source
WURCS=2.0/3,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1x_1-5_2*NCC/3=O]/1-2-2-3-2/a3-b1_a6-d1_b3-c1_d4-e1 SUBMITTER
Manual Xrefs Databases
G50117DJ GlyTouCan
G50117DJ GlyGen
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