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CHEBI:147862 - 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-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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:147862
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-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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
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](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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[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=2.0/6,7,6/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O][a2112h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-5-6-6/a3-b1_a6-f1_b2-c1_b3-d1_d3-e1_f3-g1
InChIInChI=1S/C50H86N4O35/c1-13-28(66)36(74)38(76)48(79-13)89-44-43(88-47-27(54-17(5)64)42(33(71)23(10-59)82-47)87-49-39(77)37(75)31(69)21(8-57)83-49)34(72)24(11-60)84-50(44)85-40(18(6-55)51-14(2)61)29(67)19(65)12-78-45-26(53-16(4)63)41(32(70)22(9-58)80-45)86-46-25(52-15(3)62)35(73)30(68)20(7-56)81-46/h13,18-50,55-60,65-77H,6-12H2,1-5H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)/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
InChIKeyFRWUSZSUCROQTG-HXAZJCHUSA-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-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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:147862) is a oligosaccharide (CHEBI:50699)
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