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CHEBI:150457 - N-[(2S,3R,4R,5R,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-2,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide

ChEBI IDCHEBI:150457
ChEBI NameN-[(2S,3R,4R,5R,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-2,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H45NO20
Net Charge0
Average Mass691.633
Monoisotopic Mass691.25349
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[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](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@@H]1O
WURCSWURCS=2.0/3,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-2/a3-b1_a6-d1_b2-c1
InChIInChI=1S/C26H45NO20/c1-6-12(31)16(35)20(39)25(42-6)47-22-18(37)14(33)9(4-29)45-26(22)46-21-11(27-7(2)30)23(40)43-10(15(21)34)5-41-24-19(38)17(36)13(32)8(3-28)44-24/h6,8-26,28-29,31-40H,3-5H2,1-2H3,(H,27,30)/t6-,8+,9+,10+,11+,12+,13-,14-,15-,16+,17-,18-,19+,20-,21+,22+,23-,24+,25-,26-/m0/s1
InChIKeyASHZKRVZVQSQJW-ONOULXIMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5R,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-2,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide (CHEBI:150457) is a amino sugar (CHEBI:28963)
Synonyms  Source
Fuc(a1-2)Gal(b1-3)[Gal(b1-6)]a-GalNAcSUBMITTER
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G35947YDGlyTouCan
G35947YDGlyGen