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CHEBI:148715 - N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:148715
ChEBI NameN-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
Last Modified4 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC43H74N2O31
Net Charge0
Average Mass1115.048
Monoisotopic Mass1114.42755
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](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](OCC(O)CO)[C@@H]4O)O[C@H](CO)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/5,7,6/[hxh][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-2-4-5-4/a3-b1_b3-c1_c3-d1_c4-g1_d2-e1_d3-f1
InChIInChI=1S/C43H74N2O31/c1-11-22(54)28(60)30(62)41(66-11)72-33-19(9-50)71-39(74-35-25(57)17(7-48)69-40(32(35)64)65-10-15(53)5-46)21(45-14(4)52)34(33)73-43-37(76-42-31(63)29(61)23(55)12(2)67-42)36(26(58)18(8-49)70-43)75-38-20(44-13(3)51)27(59)24(56)16(6-47)68-38/h11-12,15-43,46-50,53-64H,5-10H2,1-4H3,(H,44,51)(H,45,52)/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-/m0/s1
InChIKeyQGWSAMDMYAUCMO-KENZIENUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148715) is a glycosylglycerol (CHEBI:24406)
Manual XrefsDatabases
G26527XDGlyTouCan
G26527XDGlyGen