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CHEBI:152684 - N-[(2S,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide

ChEBI IDCHEBI:152684
ChEBI NameN-[(2S,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H37NO16
Net Charge0
Average Mass547.507
Monoisotopic Mass547.21123
SMILESCC(=O)N[C@@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)[C@H](O)CO
WURCSWURCS=2.0/3,3,2/[h2122h_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3/a4-b1_b3-c1
InChIInChI=1S/C20H37NO16/c1-6(26)21-7(2-22)11(28)17(8(27)3-23)36-20-16(33)18(13(30)10(5-25)35-20)37-19-15(32)14(31)12(29)9(4-24)34-19/h7-20,22-25,27-33H,2-5H2,1H3,(H,21,26)/t7-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17+,18-,19+,20-/m0/s1
InChIKeyZJTPXBKAHWVHLB-CFIUSSKDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide (CHEBI:152684) is a O-acyl carbohydrate (CHEBI:52782)
Manual XrefsDatabases
G63473GZGlyTouCan
G63473GZGlyGen