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CHEBI:166948 - 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:166948
ChEBI Nameβ-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 Namebeta-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 hexasaccharide consisting of β-D-mannosyl, α-D-glucosyl, β-D-glucosyl, β-D-mannosyl and β-D-glucosyl residues linked sequentially (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
FormulaC41H71NO32
Net Charge0
Average Mass1089.994
Monoisotopic Mass1089.39592
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]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/C41H71NO32/c42-4-2-1-3-5-63-36-25(57)21(53)29(13(8-45)66-36)70-41-28(60)33(73-39-24(56)19(51)20(52)34(74-39)35(61)62)31(15(10-47)68-41)71-40-27(59)32(17(49)12(7-44)65-40)72-38-26(58)22(54)30(14(9-46)67-38)69-37-23(55)18(50)16(48)11(6-43)64-37/h11-34,36-41,43-60H,1-10,42H2,(H,61,62)/t11-,12-,13-,14-,15-,16-,17-,18+,19+,20+,21-,22-,23+,24-,25-,26-,27-,28+,29-,30-,31-,32+,33-,34+,36+,37+,38-,39+,40+,41+/m1/s1
InChIKeyFLKFZZMLQVGNEY-KRFXSWDBSA-N
ChEBI Ontology
Outgoing Relation(s)
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:166948) has functional parent 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:166949)
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:166948) is a hexasaccharide derivative (CHEBI:63565)
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:166948) is a α-D-glucoside (CHEBI:22390)
IUPAC Name 
5-aminopentyl 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
5-aminopentyl 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
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
Manβ1-4Glcα1-3Glcβ1-4(GlcAα1-4)Manβ1-4GlcαO[CH2]5NH2ChEBI
Citations