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CHEBI:147760 - N-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:147760
ChEBI NameN-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H58N2O25
Net Charge0
Average Mass894.827
Monoisotopic Mass894.33287
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](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)O[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2/a3-b1_a6-c1_c3-d1_c4-e1
InChIInChI=1S/C34H58N2O25/c1-8-17(42)21(46)24(49)32(54-8)61-29-16(36-10(3)41)31(58-13(6-39)27(29)59-33-25(50)22(47)18(43)11(4-37)56-33)53-7-14-20(45)28(15(30(52)55-14)35-9(2)40)60-34-26(51)23(48)19(44)12(5-38)57-34/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
InChIKeyNYTSEJDAHNRALB-FTEBYXOJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:147760) is a amino sugar (CHEBI:28963)
Synonyms  Source
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)[Gal(b1-3)]a-GalNAcSUBMITTER
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G17752YBGlyTouCan
G17752YBGlyGen