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CHEBI:147544 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-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-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:147544
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-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-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC48H83N3O34
Net Charge0
Average Mass1246.179
Monoisotopic Mass1245.48580
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](CO)NC(C)=O)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,7,6/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-4-4/a3-b1_a6-f1_b2-c1_b3-d1_d2-e1_f3-g1
InChIInChI=1S/C48H83N3O34/c1-12-25(61)33(69)36(72)45(75-12)84-41-35(71)29(65)20(8-54)79-47(41)83-40-31(67)22(10-56)80-48(42(40)85-46-37(73)34(70)26(62)13(2)76-46)81-38(17(6-52)49-14(3)57)27(63)18(60)11-74-43-24(51-16(5)59)39(30(66)21(9-55)77-43)82-44-23(50-15(4)58)32(68)28(64)19(7-53)78-44/h12-13,17-48,52-56,60-73H,6-11H2,1-5H3,(H,49,57)(H,50,58)(H,51,59)/t12-,13-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28+,29-,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,43+,44-,45-,46-,47-,48-/m0/s1
InChIKeyXVNDVHHGJITVAO-PJXVBTCXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-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-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:147544) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G14009XMGlyTouCan
G14009XMGlyGen