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CHEBI:150089 - N-[(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide

ChEBI IDCHEBI:150089
ChEBI NameN-[(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H37NO15
Net Charge0
Average Mass531.508
Monoisotopic Mass531.21632
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]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO
WURCSWURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3/a4-b1_b2-c1
InChIInChI=1S/C20H37NO15/c1-6-11(27)14(30)16(32)19(33-6)36-18-15(31)13(29)10(5-24)34-20(18)35-17(9(26)4-23)12(28)8(3-22)21-7(2)25/h6,8-20,22-24,26-32H,3-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12+,13-,14+,15-,16-,17-,18+,19-,20-/m0/s1
InChIKeyHLFQALWGSJENDB-JBEYMMBISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide (CHEBI:150089) is a O-acyl carbohydrate (CHEBI:52782)
Manual XrefsDatabases
G34562TLGlyTouCan
G34562TLGlyGen