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CHEBI:154627 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:154627
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC50H86N4O35
Net Charge0
Average Mass1303.231
Monoisotopic Mass1302.50726
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](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](CO)NC(C)=O)[C@@H]3O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/5,7,6/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-2-3-4-5-4/a3-b1_a6-g1_b3-c1_b6-e1_c3-d1_e3-f1
InChIInChI=1S/C50H86N4O35/c1-13-28(65)37(74)38(75)48(80-13)87-42-27(54-17(5)63)46(82-22(9-58)32(42)69)79-12-24-34(71)44(89-49-39(76)43(33(70)23(10-59)84-49)88-47-26(53-16(4)62)36(73)31(68)21(8-57)83-47)40(77)50(85-24)86-41(18(6-55)51-14(2)60)29(66)19(64)11-78-45-25(52-15(3)61)35(72)30(67)20(7-56)81-45/h13,18-50,55-59,64-77H,6-12H2,1-5H3,(H,51,60)(H,52,61)(H,53,62)(H,54,63)/t13-,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-,49-,50-/m0/s1
InChIKeySJXWKRHMVHBCBW-ACPCKNGMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154627) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G83491LRGlyTouCan
G83491LRGlyGen