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CHEBI:146943 - β-D-GlcpNAc-(1→6)-D-GalpNAc3S

ChEBI IDCHEBI:146943
ChEBI Nameβ-D-GlcpNAc-(1→6)-D-GalpNAc3S
Stars
ASCII Namebeta-D-GlcpNAc-(1->6)-D-GalpNAc3S
DefinitionAn amino disaccharide that is 2-acetamido-3-O-sulfo-D-galactopyranose in which the hydroxy group at position 6 has been converted into the corresponding 2-acetamido-β-D-glucopyranoside.
Last Modified4 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H28N2O14S
Net Charge0
Average Mass504.467
Monoisotopic Mass504.12612
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](OS(=O)(=O)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O_3*OSO/3=O/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2/a6-b1
InChIInChI=1S/C16H28N2O14S/c1-5(20)17-9-13(24)11(22)7(3-19)31-16(9)29-4-8-12(23)14(32-33(26,27)28)10(15(25)30-8)18-6(2)21/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
InChIKeyYYINQXJYCFYYKE-CHCYTSQNSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→6)-D-GalpNAc3S (CHEBI:146943) has functional parent β-D-GlcpNAc-(1→6)-D-GalpNAc (CHEBI:61580)
β-D-GlcpNAc-(1→6)-D-GalpNAc3S (CHEBI:146943) is a acetamides (CHEBI:22160)
β-D-GlcpNAc-(1→6)-D-GalpNAc3S (CHEBI:146943) is a amino disaccharide (CHEBI:22480)
β-D-GlcpNAc-(1→6)-D-GalpNAc3S (CHEBI:146943) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Names 
GlcNAc(b1-6)GalNAc3S
2-acetamido-6-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-3-O-sulfo-D-galactopyranose
Synonyms  Source
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)-2-acetamido-2-deoxy-3-O-sulfo-D-galacto-hexopyranoseIUPAC
[(2R,3S,4R,5R)-5-acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl] hydrogen sulfateIUPAC
Manual XrefsDatabases
G06172PEGlyTouCan
G12417KEGG GLYCAN
G06172PEGlyGen