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CHEBI:147626 - β-D-Galp3S-(1→4)-D-GlcpNAc

Default Structure
ChEBI IDCHEBI:147626
ChEBI Nameβ-D-Galp3S-(1→4)-D-GlcpNAc
Stars
ASCII Namebeta-D-Galp3S-(1->4)-D-GlcpNAc
DefinitionAn oligosaccharide sulfate consisting of 3-O-sulfo-β-D-galactopyranose and -2-acetamido-2-deoxy-D-glucopyranose residues joined by a (1→4) glycosidic bond.
Last Modified5 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H25NO14S
Net Charge0
Average Mass463.414
Monoisotopic Mass463.09958
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C14H25NO14S/c1-4(18)15-7-9(20)11(6(3-17)26-13(7)22)28-14-10(21)12(29-30(23,24)25)8(19)5(2-16)27-14/h5-14,16-17,19-22H,2-3H2,1H3,(H,15,18)(H,23,24,25)/t5-,6-,7-,8+,9-,10-,11-,12+,13?,14+/m1/s1
InChIKeyOBGZWGPQQVKGMA-KMJSDMRTSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp3S-(1→4)-D-GlcpNAc (CHEBI:147626) has functional parent N-acetyl-D-glucosamine (CHEBI:506227)
β-D-Galp3S-(1→4)-D-GlcpNAc (CHEBI:147626) has functional parent 3-O-sulfo-β-D-galactose (CHEBI:65148)
β-D-Galp3S-(1→4)-D-GlcpNAc (CHEBI:147626) has functional parent β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:60152)
β-D-Galp3S-(1→4)-D-GlcpNAc (CHEBI:147626) is a acetamides (CHEBI:22160)
β-D-Galp3S-(1→4)-D-GlcpNAc (CHEBI:147626) is a amino disaccharide (CHEBI:22480)
β-D-Galp3S-(1→4)-D-GlcpNAc (CHEBI:147626) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Names 
2-acetamido-2-deoxy-4-O-(3-O-sulfo-β-D-galactopyranosyl)-D-glucopyranose
Gal3S(b1-4)GlcNAc
Synonyms  Source
[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfateIUPAC
3-O-sulfo-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseIUPAC
Manual XrefsDatabases
G00842KEGG GLYCAN
G11658OGGlyTouCan
G11658OGGlyGen