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CHEBI:154516 - N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5S,6S)-6-[[(2S,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-2-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:154516
ChEBI NameN-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5S,6S)-6-[[(2S,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-2-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC38H65NO30
Net Charge0
Average Mass1015.915
Monoisotopic Mass1015.35914
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](OC[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H]2CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/3,6,5/[h1122h_2-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-2-2-2/a6-b1_b4-c1_b6-d1_d2-e1_e2-f1
InChIInChI=1S/C38H65NO30/c1-9(45)39-17-24(52)19(47)11(3-41)62-34(17)67-31-16(66-35(30(58)28(31)56)59-7-15-23(51)18(46)10(2-40)61-15)8-60-37-32(26(54)21(49)13(5-43)64-37)69-38-33(27(55)22(50)14(6-44)65-38)68-36-29(57)25(53)20(48)12(4-42)63-36/h10-38,40-44,46-58H,2-8H2,1H3,(H,39,45)/t10-,11-,12-,13-,14-,15+,16-,17-,18-,19+,20-,21-,22-,23-,24-,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+,35+,36-,37+,38-/m1/s1
InChIKeyPIZHEYFHIYKEFD-PXNMVFRFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5S,6S)-6-[[(2S,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-2-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154516) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Manual XrefsDatabases
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G83078TIGlyGen