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CHEBI:62662 - β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-D-Gal-OH

ChEBI IDCHEBI:62662
ChEBI Nameβ-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-D-Gal-OH
Stars
ASCII Namebeta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)-D-Gal-OH
DefinitionA glycosyl alditol consisting of galactitol having a β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl group attached at the 6-position.
Last Modified13 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC20H37NO16
Net Charge0
Average Mass547.507
Monoisotopic Mass547.21123
SMILESCC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a6-b1_b4-c1
InChIInChI=1S/C20H37NO16/c1-6(25)21-11-15(31)18(37-20-17(33)16(32)14(30)9(3-23)35-20)10(4-24)36-19(11)34-5-8(27)13(29)12(28)7(26)2-22/h7-20,22-24,26-33H,2-5H2,1H3,(H,21,25)/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16-,17+,18+,19+,20-/m0/s1
InChIKeyWOXIFCQJUTXPKT-XKTMXJHTSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-D-Gal-OH (CHEBI:62662) has functional parent galactitol (CHEBI:16813)
β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-D-Gal-OH (CHEBI:62662) is a glycosyl alditol (CHEBI:36307)
IUPAC Name 
β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-D-galactitol
Synonyms  Source
β-D-Galp-(1→4)-β-D-GlpcNAc-(1→6)-D-Gal-olChEBI
β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)-D-galactitolChEBI
Manual XrefsDatabases
G30807YBGlyTouCan
G30807YBGlyGen
Citations