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CHEBI:150972 - N-[(2R,3R,4R,5R,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 IDCHEBI:150972
ChEBI NameN-[(2R,3R,4R,5R,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
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H40N2O16
Net Charge0
Average Mass588.560
Monoisotopic Mass588.23778
SMILESCC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b1_a6-c1
InChIInChI=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
InChIKeyYLMDXLYXTTZRML-HUSPFRSTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5R,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:150972) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G45129XMGlyTouCan
G45129XMGlyGen