EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:156583 - GlyTouCan G22140GZ

ChEBI IDCHEBI:156583
ChEBI NameGlyTouCan G22140GZ
Stars
DefinitionAn amino nonasaccharide that is α-D-Manp-(1→3)-[β-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc in which one hydroxy group in each of the terminal mannose moieties has been converted into the corresponding D-Gal-(1→?)-?-D-GlcNAc-(1→?)- glycoside. For the structure shown, one of the R1 atoms and one of the R2 atoms represents a ?-D-Gal-(1→?)-?-D-GlcNAc-(1→?)- group; the remaining R1 and R2 atoms are hydrogens.
Last Modified6 October 2020
SubmitterGareth Owen
DownloadsMolfile
Formula
Net Charge0
Average Mass (excl. R groups)1641.488
Monoisotopic Mass (excl. R groups)1640.59217
SMILES[1*]OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO[2*])[C@@H](O[2*])[C@H](O[2*])[C@@H]3O[2*])[C@@H]2O)[C@@H](O[1*])[C@@H](O[1*])[C@@H]1O[1*]
WURCSWURCS=2.0/5,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5]/1-1-2-3-4-5-3-4-5/a4-b1_b4-c1_c3-d1_c6-g1_d?-e1_e?-f1_g?-h1_h?-i1
ChEBI Ontology
Outgoing Relation(s)
GlyTouCan G22140GZ (CHEBI:156583) is a acetamides (CHEBI:22160)
GlyTouCan G22140GZ (CHEBI:156583) is a amino nonasaccharide (CHEBI:68818)
GlyTouCan G22140GZ (CHEBI:156583) is a partially-defined glycan (CHEBI:146306)
Incoming Relation(s)
GlyTouCan G42358LZ (CHEBI:156582) has functional parent GlyTouCan G22140GZ (CHEBI:156583)
GlyTouCan G57818FI (CHEBI:156585) has functional parent GlyTouCan G22140GZ (CHEBI:156583)
Manual XrefsDatabases
G22140GZGlyTouCan
G22140GZGlyGen