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CHEBI:147700 - N-[(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhexoxy)-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]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:147700
ChEBI NameN-[(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhexoxy)-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]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H47NO20
Net Charge0
Average Mass693.649
Monoisotopic Mass693.26914
SMILESCC(=O)N[C@H]1[C@H](OCC(O)C(O)C(O)C(O)CO)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=2.0/4,4,3/[hxxxxh][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4/a6-b1_b3-c1_b4-d1
InChIInChI=1S/C26H47NO20/c1-7-14(34)18(38)20(40)25(43-7)47-23-13(27-8(2)31)24(42-6-10(33)16(36)15(35)9(32)3-28)45-12(5-30)22(23)46-26-21(41)19(39)17(37)11(4-29)44-26/h7,9-26,28-30,32-41H,3-6H2,1-2H3,(H,27,31)/t7-,9?,10?,11+,12+,13+,14+,15?,16?,17-,18+,19-,20-,21+,22+,23+,24+,25-,26-/m0/s1
InChIKeyCWAKXSOYQQDVJM-IWBCYZJYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhexoxy)-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]oxyoxan-3-yl]acetamide (CHEBI:147700) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G11915AZGlyTouCan
G11915AZGlyGen