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CHEBI:64026 - β-D-GlcpA-(1→3)-β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-D-GlcpNAc

ChEBI IDCHEBI:64026
ChEBI Nameβ-D-GlcpA-(1→3)-β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-D-GlcpNAc
Stars
ASCII Namebeta-D-GlcpA-(1->3)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-D-GlcpNAc
DefinitionA linear amino tetrasaccharide comprising two β-D-GlcA-(1→3)-D-GlcNAc units connected via a β-(1→4)-linkage.
Last Modified13 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC28H44N2O23
Net Charge0
Average Mass776.651
Monoisotopic Mass776.23349
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/3,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2122A-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a3-b1_b4-c1_c3-d1
InChIInChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25?,26+,27-,28-/m1/s1
InChIKeyKIUKXJAPPMFGSW-XZLGHBIVSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA-(1→3)-β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-D-GlcpNAc (CHEBI:64026) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Name 
β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
β-D-GlcA-(1→3)-β-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-D-GlcNAcChEBI
(GlcA)2 (GlcNAc)2KEGG GLYCAN
hyaluronic acid tetrasaccharideChEBI
Manual XrefsDatabases
G00526KEGG GLYCAN
G93263XOGlyTouCan
G93263XOGlyGen
Registry NumbersSources
Reaxys:6364607Reaxys