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CHEBI:149392 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:149392
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC42H73N3O31
Net Charge0
Average Mass1116.036
Monoisotopic Mass1115.42280
SMILESCC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](CO)NC(C)=O)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=2.0/3,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a3-b1_a6-e1_b6-c1_c4-d1_e4-f1
InChIInChI=1S/C42H73N3O31/c1-11(51)43-14(4-46)35(23(55)15(54)9-67-38-21(44-12(2)52)27(59)36(18(7-49)71-38)75-40-32(64)29(61)24(56)16(5-47)69-40)74-42-34(66)31(63)26(58)20(73-42)10-68-39-22(45-13(3)53)28(60)37(19(8-50)72-39)76-41-33(65)30(62)25(57)17(6-48)70-41/h14-42,46-50,54-66H,4-10H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t14-,15+,16+,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-/m0/s1
InChIKeyKEDPJCXRLSKKMO-XTGKWJMBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:149392) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G33892UJGlyTouCan
G33892UJGlyGen