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CHEBI:74976 - β-D-Glcp-(1→3)-[β-D-Glcp-(1→3)-β-D-GalpNAc-(1→4)-α-D-Glcp-(1→4)]-β-D-GalpNAc-(1→3)-α-D-ManpO[CH2]5NH2

ChEBI IDCHEBI:74976
ChEBI Nameβ-D-Glcp-(1→3)-[β-D-Glcp-(1→3)-β-D-GalpNAc-(1→4)-α-D-Glcp-(1→4)]-β-D-GalpNAc-(1→3)-α-D-ManpO[CH2]5NH2
Stars
ASCII Namebeta-D-Glcp-(1->3)-[beta-D-Glcp-(1->3)-beta-D-GalpNAc-(1->4)-alpha-D-Glcp-(1->4)]-beta-D-GalpNAc-(1->3)-alpha-D-ManpO[CH2]5NH2
DefinitionA hexasaccharide derivative consisting of an α-D-mannosyl residue β-linked to a 5-aminopentyl group and which carries at O-3 an β-D-glucosyl-(1→3)-[β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-α-D-glucosyl-(1→4)]-N-acetyl-β-D-galactosaminyl branched pentasaccharide unit.
Last Modified6 May 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC45H79N3O31
Net Charge0
Average Mass1158.117
Monoisotopic Mass1157.46975
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](OCCCCCN)O[C@H](CO)[C@H]2O)O[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](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C45H79N3O31/c1-14(55)47-22-37(77-43-31(64)28(61)24(57)16(8-49)71-43)26(59)18(10-51)69-40(22)75-35-20(12-53)74-45(33(66)30(35)63)76-36-21(13-54)73-41(79-39-27(60)19(11-52)70-42(34(39)67)68-7-5-3-4-6-46)23(48-15(2)56)38(36)78-44-32(65)29(62)25(58)17(9-50)72-44/h16-45,49-54,57-67H,3-13,46H2,1-2H3,(H,47,55)(H,48,56)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35-,36+,37-,38-,39+,40+,41+,42+,43+,44+,45-/m1/s1
InChIKeyRXCBAMIEGINJBX-NDEAUSGHSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Glcp-(1→3)-[β-D-Glcp-(1→3)-β-D-GalpNAc-(1→4)-α-D-Glcp-(1→4)]-β-D-GalpNAc-(1→3)-α-D-ManpO[CH2]5NH2 (CHEBI:74976) is a hexasaccharide derivative (CHEBI:63565)
IUPAC Name 
5-aminopentyl β-D-glucopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-α-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-α-D-mannopyranoside
Synonyms  Source
5-aminopentyl β-D-glucosyl-(1→3)-[β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-α-D-glucosyl-(1→4)]-N-acetyl-β-D-galactosaminyl-(1→3)-α-D-mannosideChEBI
β-D-Glcp-(1→3)-β-D-GalpNAc-(1→4)-α-D-Glcp-(1→4)-[β-D-Glcp-(1→3)]-β-D-GalpNAc-(1→3)-α-D-ManpO[CH2]5NH2ChEBI
β-D-Glc-(1→3)-[β-D-Glc-(1→3)-β-D-GalNAc-(1→4)-α-D-Glc-(1→4)]-β-D-GalNAc-(1→3)-α-D-ManO[CH2]5NH2ChEBI
5-aminopentyl β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-α-D-glucosyl-(1→4)-[β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosaminyl-(1→3)-α-D-mannosideChEBI
PS-IIChEBI
Registry NumbersSources
Reaxys:21969827Reaxys
Citations