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CHEBI:147656 - β-D-Galp-(1→4)-β-D-Glcp-(1→4)-α-D-GlcpNAc

ChEBI IDCHEBI:147656
ChEBI Nameβ-D-Galp-(1→4)-β-D-Glcp-(1→4)-α-D-GlcpNAc
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-Glcp-(1->4)-alpha-D-GlcpNAc
DefinitionAn amino trisaccharide that is 2-acetamido-2-deoxy-α-D-glucopyranose in which the hydroxy group at position 4 has been glycosylated by β-lactose.
Last Modified16 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO16
Net Charge0
Average Mass545.491
Monoisotopic Mass545.19558
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5][a2112h-1b_1-5]/1-2-3/a4-b1_b4-c1
InChIInChI=1S/C20H35NO16/c1-5(25)21-9-11(27)16(7(3-23)33-18(9)32)36-20-15(31)13(29)17(8(4-24)35-20)37-19-14(30)12(28)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11-,12+,13-,14-,15-,16-,17-,18+,19+,20+/m1/s1
InChIKeyQOITYCLKNIWNMP-YZNZJVQXSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-β-D-Glcp-(1→4)-α-D-GlcpNAc (CHEBI:147656) has functional parent β-lactose (CHEBI:36218)
β-D-Galp-(1→4)-β-D-Glcp-(1→4)-α-D-GlcpNAc (CHEBI:147656) is a acetamides (CHEBI:22160)
β-D-Galp-(1→4)-β-D-Glcp-(1→4)-α-D-GlcpNAc (CHEBI:147656) is a amino trisaccharide (CHEBI:59266)
IUPAC Names 
Gal(b1-4)Glc(b1-4)a-GlcNAc
β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranose
Synonyms  Source
β-D-galacto-hexopyranosyl-(1→4)-β-D-gluco-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-gluco-hexopyranoseIUPAC
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G17342KEGlyTouCan
G17342KEGlyGen