EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:71424 - β-D-Glcp3(1-carboxyEt)NAc-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:71424
ChEBI Nameβ-D-Glcp3(1-carboxyEt)NAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-Glcp3(1-carboxyEt)NAc-(1->4)-beta-D-GlcpNAc
DefinitionAn amino disaccharide consisting of N-acetyl-β-D-glucosamine, substituted on O-3 with a 1-carboxyethyl group and linked (1→4) to a second N-acetyl-β-D-glucosamine residue.
Last Modified3 May 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H32N2O13
Net Charge0
Average Mass496.466
Monoisotopic Mass496.19044
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(C)C(=O)O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C19H32N2O13/c1-6(17(28)29)31-16-12(21-8(3)25)19(33-9(4-22)13(16)26)34-15-10(5-23)32-18(30)11(14(15)27)20-7(2)24/h6,9-16,18-19,22-23,26-27,30H,4-5H2,1-3H3,(H,20,24)(H,21,25)(H,28,29)/t6?,9-,10-,11-,12-,13-,14-,15-,16-,18-,19+/m1/s1
InChIKeySJKBAJLKHOPUHW-NHFRPMDVSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Glcp3(1-carboxyEt)NAc-(1→4)-β-D-GlcpNAc (CHEBI:71424) is a amino disaccharide (CHEBI:22480)
β-D-Glcp3(1-carboxyEt)NAc-(1→4)-β-D-GlcpNAc (CHEBI:71424) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
N-acetyl-3-O-(1-carboxyethyl)-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
2-acetamido-4-O-[2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranoseIUPAC
HOOC(CH3)CH-3-O-GlcNAcβ1-4GlcNAcβChEBI
HOOC(CH3)CH-3-O-GlcNAcβ1-4GlcNAcβChEBI
Citations