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CHEBI:152606 - N-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6S)-4,5-Dihydroxy-6-methyl-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:152606
ChEBI NameN-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6S)-4,5-Dihydroxy-6-methyl-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO14
Net Charge0
Average Mass513.493
Monoisotopic Mass513.20575
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-2/a4-b1_b2-c1
InChIInChI=1S/C20H35NO14/c1-5-10(24)13(27)15(29)19(31-5)35-17-14(28)11(25)6(2)32-20(17)34-16-8(4-22)33-18(30)9(12(16)26)21-7(3)23/h5-6,8-20,22,24-30H,4H2,1-3H3,(H,21,23)/t5-,6-,8+,9+,10+,11+,12+,13+,14+,15-,16+,17-,18+,19-,20-/m0/s1
InChIKeyQWMBCXXPKLTISL-CSEZVLSJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6S)-4,5-Dihydroxy-6-methyl-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:152606) is a amino sugar (CHEBI:28963)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-2)Fuc(a1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G65475CXGlyTouCan
G65475CXGlyGen