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CHEBI:61025 - β-D-GlcpA-(1→3)-β-D-GalpNAc

ChEBI IDCHEBI:61025
ChEBI Nameβ-D-GlcpA-(1→3)-β-D-GalpNAc
Stars
ASCII Namebeta-D-GlcpA-(1->3)-beta-D-GalpNAc
DefinitionAn amino disaccharide consisting of N-acetyl-β-D-galactosamine having a β-D-glucuronosyl residue attached at the 3-position.
Last Modified13 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC14H23NO12
Net Charge0
Average Mass397.333
Monoisotopic Mass397.12203
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2/a3-b1
InChIInChI=1S/C14H23NO12/c1-3(17)15-5-10(6(18)4(2-16)25-13(5)24)26-14-9(21)7(19)8(20)11(27-14)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
InChIKeyLJORHONFMDUUHP-YHCGEDBISA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA-(1→3)-β-D-GalpNAc (CHEBI:61025) is a amino disaccharide (CHEBI:22480)
IUPAC Name 
β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranose
Synonyms  Source
β-D-GlcA-(1→3)-β-D-GalNAcChEBI
2-acetamido-2-deoxy-3-O-β-D-glucopyranuronosyl-β-D-galactopyranoseIUPAC
β-D-glucuronosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactoseChEBI
Manual XrefsDatabases
G12916RQGlyTouCan
G12916RQGlyGen
Registry NumbersSources
Reaxys:1693896Reaxys
Citations