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CHEBI:153601 - N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:153601
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC46H80N2O34
Net Charge0
Average Mass1205.126
Monoisotopic Mass1204.45925
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](NC(C)=O)[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)CO)O[C@@H]3CO)O[C@H](CO)[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[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/5,7,6/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2122h-1b_1-5][a2112h-1b_1-5]/1-2-3-4-2-3-5/a3-b1_b3-c1_b4-d1_d3-e1_e3-f1_e4-g1
InChIInChI=1S/C46H80N2O34/c1-11-23(59)28(64)31(67)43(71-11)80-38-21(47-13(3)55)41(77-35(16(58)6-50)25(61)15(57)5-49)75-20(10-54)37(38)79-46-34(70)40(27(63)18(8-52)74-46)82-42-22(48-14(4)56)39(81-44-32(68)29(65)24(60)12(2)72-44)36(19(9-53)76-42)78-45-33(69)30(66)26(62)17(7-51)73-45/h11-12,15-46,49-54,57-70H,5-10H2,1-4H3,(H,47,55)(H,48,56)/t11-,12-,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-,43-,44-,45-,46-/m0/s1
InChIKeyJBRQYRZIKWHLKR-UXGRPBIJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:153601) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G79691MOGlyTouCan
G79691MOGlyGen