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CHEBI:150712 - β-D-GlcpNAc-(1→4)-β-D-GlcpA

ChEBI IDCHEBI:150712
ChEBI Nameβ-D-GlcpNAc-(1→4)-β-D-GlcpA
Stars
ASCII Namebeta-D-GlcpNAc-(1->4)-beta-D-GlcpA
DefinitionAn amino disaccharide consisting of 2-acetamido-β-D-glucopyranose and β-D-glucopyranuronic acid residues joined in sequence by a (1→4)-glycosidic bond.
Last Modified2 June 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H23NO12
Net Charge0
Average Mass397.333
Monoisotopic Mass397.12203
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122A-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2/a4-b1
InChIInChI=1S/C14H23NO12/c1-3(17)15-5-7(19)6(18)4(2-16)25-14(5)27-10-8(20)9(21)13(24)26-11(10)12(22)23/h4-11,13-14,16,18-21,24H,2H2,1H3,(H,15,17)(H,22,23)/t4-,5-,6-,7-,8-,9-,10+,11+,13-,14+/m1/s1
InChIKeyLJKKEBYAXYCTNF-GIXQJHCPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:150712) has functional parent N-acetyl-β-D-glucosamine (CHEBI:28009)
β-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:150712) has functional parent β-D-glucuronic acid (CHEBI:28860)
β-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:150712) is a acetamides (CHEBI:22160)
β-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:150712) is a amino disaccharide (CHEBI:22480)
β-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:150712) is a monocarboxylic acid (CHEBI:25384)
IUPAC Names 
GlcNAc(b1-4)b-GlcA
4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-β-D-glucopyranuronic acid
Synonyms  Source
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)-β-D-gluco-hexopyranuronic acidIUPAC
(2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acidIUPAC
Manual XrefsDatabases
G42361UOGlyTouCan
G42361UOGlyGen