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CHEBI:148548 - N-[(2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:148548
ChEBI NameN-[(2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H45NO21
Net Charge0
Average Mass707.632
Monoisotopic Mass707.24841
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b2-c1_b3-d1
InChIInChI=1S/C26H45NO21/c1-6(32)27-11-15(36)12(33)7(2-28)43-24(11)47-21-14(35)9(4-30)45-26(46-20-10(5-31)42-23(41)18(39)17(20)38)22(21)48-25-19(40)16(37)13(34)8(3-29)44-25/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16+,17-,18-,19-,20-,21+,22-,23-,24-,25-,26+/m1/s1
InChIKeyPQPMRBNQPUDYHI-MYABIHBTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148548) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Gal(a1-2)[GalNAc(a1-3)]Gal(b1-4)b-GlcSUBMITTER
alpha-D-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G28947UJGlyTouCan
G28947UJGlyGen