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CHEBI:148764 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:148764
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC33H56N2O24
Net Charge0
Average Mass864.801
Monoisotopic Mass864.32230
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[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]2O)[C@@H]1O
WURCSWURCS=2.0/5,5,4/[a2122h-1x_1-5_2*NCC/3=O][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a212h-1b_1-4]/1-2-3-4-5/a3-b1_a4-c1_c4-d1_d2-e1
InChIInChI=1S/C33H56N2O24/c1-8-17(42)21(46)24(49)31(51-8)58-27-16(35-10(3)41)29(50)52-14(7-39)26(27)57-30-15(34-9(2)40)20(45)25(13(6-38)55-30)56-33-28(22(47)18(43)11(4-36)54-33)59-32-23(48)19(44)12(5-37)53-32/h8,11-33,36-39,42-50H,4-7H2,1-3H3,(H,34,40)(H,35,41)/t8-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+,28-,29?,30-,31-,32-,33-/m0/s1
InChIKeyWVNAWMIHWMJUBU-QOSLNNOHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148764) is a amino sugar (CHEBI:28963)
Synonyms  Source
Xylf(b1-2)Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)]GlcNAcSUBMITTER
beta-D-xylo-pentofuranosyl-(1->2)-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G29705AOGlyTouCan
G29705AOGlyGen