CHEBI:151691 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

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ChEBI Name N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:151691
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C34H60N2O25
Net Charge 0
Average Mass 896.843
Monoisotopic Mass 896.34852
InChI InChI=1S/C34H60N2O25/c1-9-18(44)23(49)25(51)32(55-9)61-30-27(53)29(60-33-26(52)24(50)21(47)15(6-39)57-33)16(7-40)58-34(30)59-28(12(4-37)35-10(2)41)19(45)13(43)8-54-31-17(36-11(3)42)22(48)20(46)14(5-38)56-31/h9,12-34,37-40,43-53H,4-8H2,1-3H3,(H,35,41)(H,36,42)/t9-,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 YBNAUNCXESUWEK-JYZQMXPXSA-N
SMILES O1[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](NC(=O)C)CO)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](O)[C@@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]1CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151691) is a oligosaccharide (CHEBI:50699)
Synonym Source
WURCS=2.0/5,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_a6-e1_b2-c1_b4-d1 SUBMITTER
Manual Xrefs Databases
G53016WG GlyTouCan
G53016WG GlyGen
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