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CHEBI:77426 - β-D-GlcpA-(1→3)-β-D-GlcpNCOEt-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNCOEt-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNCOEt

ChEBI IDCHEBI:77426
ChEBI Nameβ-D-GlcpA-(1→3)-β-D-GlcpNCOEt-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNCOEt-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNCOEt
Stars
ASCII Namebeta-D-GlcpA-(1->3)-beta-D-GlcpNCOEt-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GlcpNCOEt-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GlcpNCOEt
DefinitionA linear amino hexasaccharide consisting of three repeats of a β-D-glucuronosyl-(1→3)-N-propionyl-β-D-glucosamine disaccharide unit linked (1→4).
Last Modified21 February 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC45H71N3O34
Net Charge0
Average Mass1198.050
Monoisotopic Mass1197.39190
SMILESCCC(=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(=O)CC)[C@H](O)[C@H]4O)[C@H]3NC(=O)CC)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C45H71N3O34/c1-4-13(52)46-16-29(19(55)10(7-49)72-40(16)71)75-44-27(63)24(60)32(35(81-44)38(67)68)78-42-18(48-15(54)6-3)31(21(57)12(9-51)74-42)77-45-28(64)25(61)33(36(82-45)39(69)70)79-41-17(47-14(53)5-2)30(20(56)11(8-50)73-41)76-43-26(62)22(58)23(59)34(80-43)37(65)66/h10-12,16-36,40-45,49-51,55-64,71H,4-9H2,1-3H3,(H,46,52)(H,47,53)(H,48,54)(H,65,66)(H,67,68)(H,69,70)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,40-,41+,42+,43-,44-,45-/m1/s1
InChIKeyIHKUFYMKVZLGTM-LXMZTXCNSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA-(1→3)-β-D-GlcpNCOEt-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNCOEt-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNCOEt (CHEBI:77426) is a amino hexasaccharide (CHEBI:61855)
IUPAC Name 
(β-D-glucopyranosyluronic acid)-(1→3)-2-propionamido-2-deoxy-β-D-glucopyranosyl-(1→4)-(β-D-glucopyranosyluronic acid)-(1→3)-2-propionamido-2-deoxy-β-D-glucopyranosyl-(1→4)-(β-D-glucopyranosyluronic acid)-(1→3)-2-propionamido-2-deoxy-β--glucopyranose
Synonyms  Source
β-D-glucopyranuronosyl-(1→3)-2-propionamido-2-deoxy-β-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-propionamido-2-deoxy-β-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-propionamido-2-deoxy-β--glucopyranoseIUPAC
β-D-GlcA-(1→3)-β-D-GlcNCOEt-(1→4)-β-D-GlcA-(1→3)-β-D-GlcNCOEt-(1→4)-β-D-GlcA-(1→3)-β-D-GlcNCOEtChEBI
β-D-glucuronosyl-(1→3)-N-propionyl-D-glucosaminyl-(1→4)-β-D-glucuronosyl-(1→3)-N-propionyl-D-glucosaminyl-(1→4)-β-D-glucuronosyl-(1→3)-N-propionyl-D-glucosamineChEBI
Citations