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CHEBI:77418 - β-D-GlcpA-(1→3)-β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNAc

ChEBI IDCHEBI:77418
ChEBI Nameβ-D-GlcpA-(1→3)-β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-GlcpA-(1->3)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GlcpNAc
DefinitionA linear amino hexasaccharide consisting of three repeats of a β-D-glucuronosyl-(1→3)-N-acetyl-β-D-glucosamine disaccharide unit linked (1→4).
Last Modified20 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H65N3O34
Net Charge0
Average Mass1155.969
Monoisotopic Mass1155.34495
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/2,6,5/[a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-1-2-1-2/a3-b1_b4-c1_c3-d1_d4-e1_e3-f1
InChIInChI=1S/C42H65N3O34/c1-7(49)43-13-26(16(52)10(4-46)69-37(13)68)72-41-24(60)21(57)29(32(78-41)35(64)65)75-39-15(45-9(3)51)28(18(54)12(6-48)71-39)74-42-25(61)22(58)30(33(79-42)36(66)67)76-38-14(44-8(2)50)27(17(53)11(5-47)70-38)73-40-23(59)19(55)20(56)31(77-40)34(62)63/h10-33,37-42,46-48,52-61,68H,4-6H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,62,63)(H,64,65)(H,66,67)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33+,37-,38+,39+,40-,41-,42-/m1/s1
InChIKeyLFAUBHLTGUFQPC-MWOMZPMVSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA-(1→3)-β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNAc (CHEBI:77418) is a amino hexasaccharide (CHEBI:61855)
IUPAC Name 
(β-D-glucopyranosyluronic acid)-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-(β-D-glucopyranosyluronic acid)-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-(β-D-glucopyranosyluronic acid)-(1→3)-2-acetamido-2-deoxy-β--glucopyranose
Synonyms  Source
β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-β--glucopyranoseIUPAC
β-D-GlcA-(1→3)-β-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GlcNAcChEBI
β-D-glucuronosyl-(1→3)-N-acetyl-D-glucosaminyl-(1→4)-β-D-glucuronosyl-(1→3)-N-acetyl-D-glucosaminyl-(1→4)-β-D-glucuronosyl-(1→3)-N-acetyl-D-glucosamineChEBI
Manual XrefsDatabases
G01866TTGlyTouCan
G01866TTGlyGen
Registry NumbersSources
Reaxys:7071158Reaxys
Citations