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CHEBI:153446 - N-[(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5S)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamide

ChEBI IDCHEBI:153446
ChEBI NameN-[(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5S)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H57NO25
Net Charge0
Average Mass855.790
Monoisotopic Mass855.32197
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@H](O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,5,4/[h2122h][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2/a4-b1_b6-c1_c3-d1_c4-e1
InChIInChI=1S/C32H57NO25/c1-8-16(41)20(45)23(48)30(52-8)58-28-15(33-9(2)38)29(54-13(6-37)27(28)57-31-24(49)21(46)18(43)12(5-36)53-31)51-7-14-19(44)22(47)25(50)32(55-14)56-26(11(40)4-35)17(42)10(39)3-34/h8,10-32,34-37,39-50H,3-7H2,1-2H3,(H,33,38)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21-,22-,23-,24+,25+,26+,27+,28+,29+,30-,31-,32-/m0/s1
InChIKeyYWEXFRCUGWJKMN-YSEFPMNDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5S)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamide (CHEBI:153446) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G70313VKGlyTouCan
G70313VKGlyGen