CHEBI:151295 - N-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

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ChEBI Name N-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:151295
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C22H40N2O16
Net Charge 0
Average Mass 588.560
Monoisotopic Mass 588.23778
InChI InChI=1S/C22H40N2O16/c1-7(28)23-9(3-25)20(40-22-19(36)18(35)16(33)12(5-27)39-22)14(31)10(30)6-37-21-13(24-8(2)29)17(34)15(32)11(4-26)38-21/h9-22,25-27,30-36H,3-6H2,1-2H3,(H,23,28)(H,24,29)/t9-,10+,11+,12+,13+,14-,15+,16-,17+,18-,19+,20+,21?,22-/m0/s1
InChIKey YLMDXLYXTTZRML-DRQUIGMQSA-N
SMILES O([C@@H]([C@@H](O)[C@H](O)COC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@@H](NC(=O)C)CO)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO
ChEBI Ontology
Outgoing N-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151295) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonym Source
WURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1x_1-5_2*NCC/3=O]/1-2-3/a3-b1_a6-c1 SUBMITTER
Manual Xrefs Databases
G55407TJ GlyGen
G55407TJ GlyTouCan
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