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CHEBI:149266 - 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)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:149266
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)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H55NO25
Net Charge0
Average Mass853.774
Monoisotopic Mass853.30632
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)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/3,5,4/[h1122h_2-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-2-2/a6-b1_b4-c1_b6-d1_d2-e1
InChIInChI=1S/C32H55NO25/c1-8(38)33-15-21(44)17(40)10(3-35)53-29(15)57-27-14(56-30(26(49)24(27)47)50-6-13-20(43)16(39)9(2-34)52-13)7-51-32-28(23(46)19(42)12(5-37)55-32)58-31-25(48)22(45)18(41)11(4-36)54-31/h9-32,34-37,39-49H,2-7H2,1H3,(H,33,38)/t9-,10-,11-,12-,13+,14-,15-,16-,17+,18-,19-,20-,21-,22+,23+,24-,25+,26+,27-,28+,29+,30+,31-,32+/m1/s1
InChIKeyXTISVTYZHXWUBO-ULPCGKPRSA-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)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:149266) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Manual XrefsDatabases
G32437SGGlyGen
G32437SGGlyTouCan