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CHEBI:148005 - β-D-Galp-(1→4)-β-D-GlcpNAc6S

ChEBI IDCHEBI:148005
ChEBI Nameβ-D-Galp-(1→4)-β-D-GlcpNAc6S
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-GlcpNAc6S
DefinitionAn oligosaccharide sulfate that is N-acetyllactosamine in which the hydroxy group at position 6 of the N-acetylglucosamine ring has been converted into its hydrogen sulfate derivative.
Last Modified17 November 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H25NO14S
Net Charge0
Average Mass463.414
Monoisotopic Mass463.09958
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]2O)[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]/1-2/a4-b1
InChIInChI=1S/C14H25NO14S/c1-4(17)15-7-9(19)12(6(27-13(7)22)3-26-30(23,24)25)29-14-11(21)10(20)8(18)5(2-16)28-14/h5-14,16,18-22H,2-3H2,1H3,(H,15,17)(H,23,24,25)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1
InChIKeyNTMMYALXQBBJDF-LODBTCKLSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-β-D-GlcpNAc6S (CHEBI:148005) has functional parent N-acetyllactosamine (CHEBI:16153)
β-D-Galp-(1→4)-β-D-GlcpNAc6S (CHEBI:148005) is a acetamides (CHEBI:22160)
β-D-Galp-(1→4)-β-D-GlcpNAc6S (CHEBI:148005) is a amino disaccharide (CHEBI:22480)
β-D-Galp-(1→4)-β-D-GlcpNAc6S (CHEBI:148005) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Names 
Gal(b1-4)b-GlcNAc6S
2-acetamido-2-deoxy-4-O-β-D-galactopyranosyl-6-O-sulfo-β-D-glucopyranose
Synonyms  Source
β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-β-D-gluco-hexopyranoseIUPAC
[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfateIUPAC
6-Sulfo LacNAcChEBI
Manual XrefsDatabases
G13157WZGlyTouCan
G13157WZGlyGen
Citations