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CHEBI:153037 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:153037
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC24H43N3O16
Net Charge0
Average Mass629.613
Monoisotopic Mass629.26433
SMILESCC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-2/a4-b1_b4-c1
InChIInChI=1S/C24H43N3O16/c1-8(32)25-11(4-28)17(36)21(12(35)5-29)42-24-16(27-10(3)34)20(39)22(14(7-31)41-24)43-23-15(26-9(2)33)19(38)18(37)13(6-30)40-23/h11-24,28-31,35-39H,4-7H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23-,24-/m0/s1
InChIKeySQMKEOZOGPKIHT-WOKIQZDESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:153037) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G67910EDGlyTouCan
G67910EDGlyGen