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CHEBI:157424 - β-D-GalpNAc-(1→4)-β-D-GlcpNAc6S

ChEBI IDCHEBI:157424
ChEBI Nameβ-D-GalpNAc-(1→4)-β-D-GlcpNAc6S
Stars
ASCII Namebeta-D-GalpNAc-(1->4)-beta-D-GlcpNAc6S
DefinitionAn amino disaccharide that consists of N-acetyl-6-O-sulfo-β-D-glucosamine having an N-acetyl-β-D-galactosaminyl residue attached at position 4.
Last Modified17 November 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H28N2O14S
Net Charge0
Average Mass504.467
Monoisotopic Mass504.12612
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](COS(=O)(=O)O)O[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2/a4-b1
InChIInChI=1S/C16H28N2O14S/c1-5(20)17-9-13(24)14(8(30-15(9)25)4-29-33(26,27)28)32-16-10(18-6(2)21)12(23)11(22)7(3-19)31-16/h7-16,19,22-25H,3-4H2,1-2H3,(H,17,20)(H,18,21)(H,26,27,28)/t7-,8-,9-,10-,11+,12-,13-,14-,15-,16+/m1/s1
InChIKeyLWTVBQZPIKYRNQ-QELKQAQVSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc-(1→4)-β-D-GlcpNAc6S (CHEBI:157424) is a amino disaccharide (CHEBI:22480)
β-D-GalpNAc-(1→4)-β-D-GlcpNAc6S (CHEBI:157424) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
β-D-GalpNAc-(1→4)-β-D-GlcpNAc6S (CHEBI:157424) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-β-D-glucopyranose
Synonyms  Source
GalNAc(b1-4)b-GlcNAc6SSUBMITTER
2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-gluco-hexopyranoseSUBMITTER
[(2R,3S,4R,5R,6R)-5-Acetamido-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfateChEBI
2-acetamido-4-O-(2-acetamido-2-deoxy-β-D-galactopyranosyl)-2-deoxy-6-O-sulfo-β-D-glucopyranoseIUPAC
Manual XrefsDatabases
G85113NUGlyTouCan
G85113NUGlyGen
Citations