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CHEBI:166950 - α-D-GlcpA-(1→3)-β-D-Manp-(1→4)-α-D-Glcp-(1→3)-β-D-Glcp-(1→4)-[α-D-GlcpA-(1→3)]-β-D-Manp-(1→4)-α-D-GlcpO[CH2]5NH2

ChEBI IDCHEBI:166950
ChEBI Nameα-D-GlcpA-(1→3)-β-D-Manp-(1→4)-α-D-Glcp-(1→3)-β-D-Glcp-(1→4)-[α-D-GlcpA-(1→3)]-β-D-Manp-(1→4)-α-D-GlcpO[CH2]5NH2
Stars
ASCII Namealpha-D-GlcpA-(1->3)-beta-D-Manp-(1->4)-alpha-D-Glcp-(1->3)-beta-D-Glcp-(1->4)-[alpha-D-GlcpA-(1->3)]-beta-D-Manp-(1->4)-alpha-D-GlcpO[CH2]5NH2
DefinitionAn α-D-glucoside that is the 5-aminopentyl glycoside of a branched heptasaccharide consisting of α-D-glucuronosyl, β-D-mannosyl, α-D-glucosyl, β-D-glucosyl, β-D-mannosyl and β-D-glucosyl residues linked sequentially (1→3), (1→4), (1→3), (1→4) and (1→4), to the mannosyl residue proximal to the reducing end of which has also linked (1→3) to it an α-D-glucuronosyl residue. The 5-aminopentyl group at the reducing end is a spacer to enable further conjugation to a carrier protein for immunological studies.
Last Modified30 November 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC47H79NO38
Net Charge0
Average Mass1266.118
Monoisotopic Mass1265.42801
SMILESNCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[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]5O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C47H79NO38/c48-4-2-1-3-5-73-41-26(64)22(60)31(13(8-51)76-41)80-47-30(68)36(84-44-25(63)19(57)21(59)38(86-44)40(71)72)33(15(10-53)78-47)81-46-29(67)34(16(54)12(7-50)75-46)82-42-27(65)23(61)32(14(9-52)77-42)79-45-28(66)35(17(55)11(6-49)74-45)83-43-24(62)18(56)20(58)37(85-43)39(69)70/h11-38,41-47,49-68H,1-10,48H2,(H,69,70)(H,71,72)/t11-,12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22-,23-,24-,25-,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,41+,42-,43+,44+,45+,46+,47+/m1/s1
InChIKeyOTGYGDWOZSZAQI-HNXQMYATSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcpA-(1→3)-β-D-Manp-(1→4)-α-D-Glcp-(1→3)-β-D-Glcp-(1→4)-[α-D-GlcpA-(1→3)]-β-D-Manp-(1→4)-α-D-GlcpO[CH2]5NH2 (CHEBI:166950) has functional parent α-D-GlcpA-(1→3)-β-D-Manp-(1→4)-α-D-Glcp-(1→3)-β-D-Glcp-(1→4)-[α-D-GlcpA-(1→3)]-β-D-Manp-(1→4)-α-D-Glcp (CHEBI:166951)
α-D-GlcpA-(1→3)-β-D-Manp-(1→4)-α-D-Glcp-(1→3)-β-D-Glcp-(1→4)-[α-D-GlcpA-(1→3)]-β-D-Manp-(1→4)-α-D-GlcpO[CH2]5NH2 (CHEBI:166950) is a heptasaccharide derivative (CHEBI:63568)
α-D-GlcpA-(1→3)-β-D-Manp-(1→4)-α-D-Glcp-(1→3)-β-D-Glcp-(1→4)-[α-D-GlcpA-(1→3)]-β-D-Manp-(1→4)-α-D-GlcpO[CH2]5NH2 (CHEBI:166950) is a α-D-glucoside (CHEBI:22390)
IUPAC Name 
5-aminopentyl α-D-glucopyranuronosyl-(1→3)-[α-D-glucopyranuronosyl-(1→3)-β-D-mannopyranosyl-(1→4)-α-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→4)]-β-D-mannopyranosyl-(1→4)-α-D-glucopyranoside
Synonyms  Source
GlcAα1-3Manβ1-4Glcα1-3Glcβ1-4(GlcAα1-3)Manβ1-4GlcαO[CH2]5NH2ChEBI
α-D-GlcA-(1→3)-β-D-Man-(1→4)-α-D-Glc-(1→3)-β-D-Glc-(1→4)-[α-D-GlcA-(1→3)]-β-D-Man-(1→4)-α-D-GlcO[CH2]5NH2ChEBI
5-aminopentyl α-D-glucuronosyl-(1→3)-β-D-mannosyl-(1→4)-α-D-glucosyl-(1→3)-β-D-glucosyl-(1→4)-[α-D-glucuronosyl-(1→3)]-β-D-mannosyl-(1→4)-α-D-glucosideChEBI
Citations