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CHEBI:153373 - N-[(2S,3R,4S,5R)-1,3,5,6-Tetrahydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexan-2-yl]acetamide

ChEBI IDCHEBI:153373
ChEBI NameN-[(2S,3R,4S,5R)-1,3,5,6-Tetrahydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexan-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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[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_b6-c1
InChIInChI=1S/C20H37NO16/c1-6(25)21-7(2-22)11(27)18(8(26)3-23)37-20-17(33)15(31)13(29)10(36-20)5-34-19-16(32)14(30)12(28)9(4-24)35-19/h7-20,22-24,26-33H,2-5H2,1H3,(H,21,25)/t7-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17-,18+,19-,20-/m0/s1
InChIKeyXAQGTMABOQQRSR-MJRFRONKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4S,5R)-1,3,5,6-Tetrahydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexan-2-yl]acetamide (CHEBI:153373) is a O-acyl carbohydrate (CHEBI:52782)
Manual XrefsDatabases
G69896JIGlyTouCan
G69896JIGlyGen