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CHEBI:154221 - N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexoxy]oxan-3-yl]acetamide

ChEBI IDCHEBI:154221
ChEBI NameN-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexoxy]oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H47NO20
Net Charge0
Average Mass693.649
Monoisotopic Mass693.26914
SMILESCC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4/a6-b1_b3-c1_c2-d1
InChIInChI=1S/C26H47NO20/c1-7-14(34)19(39)21(41)25(43-7)47-23-20(40)17(37)11(4-29)45-26(23)46-22-13(27-8(2)31)24(44-12(5-30)18(22)38)42-6-10(33)16(36)15(35)9(32)3-28/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
InChIKeyRLBKQRHSIUVBCX-UZJZXGBXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexoxy]oxan-3-yl]acetamide (CHEBI:154221) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G82209TYGlyTouCan
G82209TYGlyGen