EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:134023 - β-D-GlcpA-(1→4)-β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2NH2

ChEBI IDCHEBI:134023
ChEBI Nameβ-D-GlcpA-(1→4)-β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2NH2
Stars
ASCII Namebeta-D-GlcpA-(1->4)-beta-D-Glcp-(1->3)-beta-D-GlcpA-(1->4)-beta-D-GlcpOCH2CH2NH2
DefinitionA β-D-glucoside that is the 2-aminoethyl glycoside of a tetrasaccharide, a synthetic dimer of cellobiuronic acid in which the two β-D-glucuronosyl-(1→4)-β-D-glucosyl disaccharide units are linked (1→3)
Last Modified6 April 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H43NO23
Net Charge0
Average Mass737.614
Monoisotopic Mass737.22259
SMILESNCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H43NO23/c27-1-2-43-23-12(35)9(32)16(5(3-28)44-23)47-26-15(38)18(14(37)20(50-26)22(41)42)48-24-13(36)10(33)17(6(4-29)45-24)46-25-11(34)7(30)8(31)19(49-25)21(39)40/h5-20,23-26,28-38H,1-4,27H2,(H,39,40)(H,41,42)/t5-,6-,7+,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18+,19+,20+,23-,24+,25-,26-/m1/s1
InChIKeyQHHVRJJSANHVGE-GNNOKLTGSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA-(1→4)-β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2NH2 (CHEBI:134023) is a tetrasaccharide derivative (CHEBI:63567)
β-D-GlcpA-(1→4)-β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2NH2 (CHEBI:134023) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-aminoethyl β-D-glucopyranuronosyl-(1→4)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranuronosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
β-D-GlcA-(1→4)-β-D-Glc-(1→3)-β-D-GlcA-(1→4)-β-D-GlcOCH2CH2NH2ChEBI
2-aminoethyl β-D-glucuronosyl-(1→4)-β-D-glucosyl-(1→3)-β-D-glucuronosyl-(1→4)-β-D-glucosideChEBI
GlcAβ1-4Glcβ1-3GlcAβ1-4GlcβOCH2CH2NH2ChEBI
Manual XrefsDatabases
EP2851092Patent
Registry NumbersSources
Reaxys:27954413Reaxys
Citations