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CHEBI:147274 - β-D-GlcpNAc-(1→3)-[6-deoxy-α-L-Galp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→6)]-D-GalNAc-ol

ChEBI IDCHEBI:147274
ChEBI Nameβ-D-GlcpNAc-(1→3)-[6-deoxy-α-L-Galp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→6)]-D-GalNAc-ol
Stars
ASCII Namebeta-D-GlcpNAc-(1->3)-[6-deoxy-alpha-L-Galp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->6)]-D-GalNAc-ol
DefinitionAn aminopentasaccharide that is 2-acetamido-D-alactitol which has been glycosylated at positions 3 and 6 by 2-acetamido-β-D-glucopyranosyl and α-L-fucosyl-(1→3)-[β-D-galactopyranosyl-(1→4)]-2-acetamido-β-D-glucopyranosyl groups, respectively.
Last Modified31 March 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H63N3O25
Net Charge0
Average Mass937.896
Monoisotopic Mass937.37506
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@H](O)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)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-2-3-4/a3-b1_a6-c1_c3-d1_c4-e1
InChIInChI=1S/C36H63N3O25/c1-10-21(48)26(53)28(55)35(58-10)64-32-20(39-13(4)46)33(61-18(8-43)31(32)63-36-29(56)27(54)24(51)17(7-42)60-36)57-9-15(47)22(49)30(14(5-40)37-11(2)44)62-34-19(38-12(3)45)25(52)23(50)16(6-41)59-34/h10,14-36,40-43,47-56H,5-9H2,1-4H3,(H,37,44)(H,38,45)(H,39,46)/t10-,14-,15+,16+,17+,18+,19+,20+,21+,22-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-/m0/s1
InChIKeyDTTWWJOYBBGPPH-AACOTHIWSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→3)-[6-deoxy-α-L-Galp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→6)]-D-GalNAc-ol (CHEBI:147274) has functional parent α-L-Fucp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc (CHEBI:59294)
β-D-GlcpNAc-(1→3)-[6-deoxy-α-L-Galp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→6)]-D-GalNAc-ol (CHEBI:147274) is a acetamides (CHEBI:22160)
β-D-GlcpNAc-(1→3)-[6-deoxy-α-L-Galp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→6)]-D-GalNAc-ol (CHEBI:147274) is a amino pentasaccharide (CHEBI:59268)
IUPAC Name 
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[6-deoxy-α-L-galactopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-D-galactitol
Synonym  Source
N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-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]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G10993EMGlyTouCan
G10993EMGlyGen