CHEBI:153398 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:153398
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C36H63N3O26
Net Charge 0
Average Mass 953.895
Monoisotopic Mass 953.36998
InChI InChI=1S/C36H63N3O26/c1-10(45)37-13(4-40)30(21(49)14(48)5-41)63-36-29(57)32(25(53)18(62-36)9-58-33-19(38-11(2)46)26(54)22(50)15(6-42)59-33)65-34-20(39-12(3)47)31(24(52)17(8-44)60-34)64-35-28(56)27(55)23(51)16(7-43)61-35/h13-36,40-44,48-57H,4-9H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/t13-,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
InChIKey UXIWKSZEPGSLSE-PQOMCYTFSA-N
SMILES O([C@H]1[C@@H](O)[C@H](O[C@@H](O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[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]3NC(=O)C)CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:153398) is a oligosaccharide (CHEBI:50699)
Synonym Source
WURCS=2.0/3,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3/a3-b1_b3-c1_b6-e1_c3-d1 SUBMITTER
Manual Xrefs Databases
G72729HN GlyTouCan
G72729HN GlyGen
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