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CHEBI:152405 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:152405
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC24H43N3O16
Net Charge0
Average Mass629.613
Monoisotopic Mass629.26433
SMILESCC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-2/a3-b1_a6-c1
InChIInChI=1S/C24H43N3O16/c1-8(31)25-11(4-28)22(43-24-16(27-10(3)33)21(39)19(37)14(6-30)42-24)17(35)12(34)7-40-23-15(26-9(2)32)20(38)18(36)13(5-29)41-23/h11-24,28-30,34-39H,4-7H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t11-,12+,13+,14+,15+,16+,17-,18+,19+,20+,21+,22+,23+,24-/m0/s1
InChIKeyJGLYSJHNZQXUDW-OHPSSIAZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:152405) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G61833XVGlyTouCan
G61833XVGlyGen