EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:148222 - β-D-GlcpNAc-(1→6)-α-D-Glcp-(1→2)-D-Glcp

ChEBI IDCHEBI:148222
ChEBI Nameβ-D-GlcpNAc-(1→6)-α-D-Glcp-(1→2)-D-Glcp
Stars
ASCII Namebeta-D-GlcpNAc-(1->6)-alpha-D-Glcp-(1->2)-D-Glcp
DefinitionAn amino trisaccharide consisting of 2-acetamido-2-deoxy-β-D-glucopyranose, α-D-glucopyranose and D-glucopyranose residues joined in sequence by (1→6) and (1→2) glycosidic bonds.
Last Modified19 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO16
Net Charge0
Average Mass545.491
Monoisotopic Mass545.19558
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5][a2122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3/a2-b1_b6-c1
InChIInChI=1S/C20H35NO16/c1-5(24)21-9-13(28)10(25)7(3-23)35-19(9)33-4-8-12(27)14(29)16(31)20(36-8)37-17-15(30)11(26)6(2-22)34-18(17)32/h6-20,22-23,25-32H,2-4H2,1H3,(H,21,24)/t6-,7-,8-,9-,10-,11-,12-,13-,14+,15+,16-,17-,18?,19-,20-/m1/s1
InChIKeyXDIIFNHKSQDDEV-RGUARMFOSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→6)-α-D-Glcp-(1→2)-D-Glcp (CHEBI:148222) has functional parent α-D-Glcp-(1→2)-D-Glcp (CHEBI:142460)
β-D-GlcpNAc-(1→6)-α-D-Glcp-(1→2)-D-Glcp (CHEBI:148222) is a acetamides (CHEBI:22160)
β-D-GlcpNAc-(1→6)-α-D-Glcp-(1→2)-D-Glcp (CHEBI:148222) is a amino trisaccharide (CHEBI:59266)
IUPAC Names 
GlcNAc(b1-6)Glc(a1-2)Glc
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-α-D-glucopyranosyl-(1→2)-D-glucopyranose
Synonyms  Source
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)-α-D-gluco-hexopyranosyl-(1→2)-D-gluco-hexopyranoseIUPAC
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G19817JFGlyTouCan
G08699KEGG GLYCAN