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CHEBI:146681 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:146681
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H58N2O25
Net Charge0
Average Mass894.827
Monoisotopic Mass894.33287
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/5,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_a6-e1_b2-c1_b4-d1
InChIInChI=1S/C34H58N2O25/c1-8-17(42)22(47)24(49)32(54-8)61-29-26(51)27(59-33-25(50)23(48)19(44)12(5-38)57-33)13(6-39)58-34(29)60-28-16(36-10(3)41)30(52)55-14(20(28)45)7-53-31-15(35-9(2)40)21(46)18(43)11(4-37)56-31/h8,11-34,37-39,42-52H,4-7H2,1-3H3,(H,35,40)(H,36,41)/t8-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20-,21+,22+,23-,24-,25+,26-,27-,28+,29+,30?,31+,32-,33+,34-/m0/s1
InChIKeyIVVWACMUAVNTDN-HSCBZZMDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:146681) is a amino sugar (CHEBI:28963)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Fuc(a1-2)[Gal(a1-4)]Gal(b1-3)[GlcNAc(b1-6)]GalNAcSUBMITTER
Manual XrefsDatabases
G04074KJGlyTouCan
G04074KJGlyGen