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CHEBI:154196 - N-[(2R,3R,4R,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexoxy]-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:154196
ChEBI NameN-[(2R,3R,4R,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexoxy]-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H37NO16
Net Charge0
Average Mass547.507
Monoisotopic Mass547.21123
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
WURCSWURCS=2.0/3,3,2/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a6-b1_b3-c1
InChIInChI=1S/C20H37NO16/c1-6(25)21-11-18(37-20-17(33)16(32)14(30)9(3-23)36-20)15(31)10(4-24)35-19(11)34-5-8(27)13(29)12(28)7(26)2-22/h7-20,22-24,26-33H,2-5H2,1H3,(H,21,25)/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16-,17+,18+,19+,20-/m0/s1
InChIKeyMPCCREUCJPTZRR-XKTMXJHTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexoxy]-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:154196) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G75959OBGlyTouCan
G75959OBGlyGen