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CHEBI:152533 - N-[(2R,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5S)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamide

ChEBI IDCHEBI:152533
ChEBI NameN-[(2R,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5S)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H47NO21
Net Charge0
Average Mass709.648
Monoisotopic Mass709.26406
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@H](O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[h2122h][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b6-c1_c4-d1
InChIInChI=1S/C26H47NO21/c1-7(32)27-13-17(38)23(48-25-20(41)18(39)15(36)10(4-30)44-25)11(5-31)45-24(13)43-6-12-16(37)19(40)21(42)26(46-12)47-22(9(34)3-29)14(35)8(33)2-28/h8-26,28-31,33-42H,2-6H2,1H3,(H,27,32)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18-,19-,20+,21+,22+,23+,24+,25-,26-/m0/s1
InChIKeyJEMKQRAPSFRBCX-DYMPEBHRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5S)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamide (CHEBI:152533) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G62631WHGlyTouCan
G62631WHGlyGen