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CHEBI:157638 - GlyTouCan G93860XO

ChEBI IDCHEBI:157638
ChEBI NameGlyTouCan G93860XO
Stars
DefinitionA polysaccharide 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 a hydroxy group in one of the terminal mannose moieties has been converted into the corresponding Neu5Ac-(1→?)-?-D-Gal-(1→?)-?-D-GlcNAc-(1→?)- glycoside, while two of the hydroxy groups on the other terminal mannose moiety have each been converted into the corresponding Neu5Ac-(1→?)-?-D-Gal-(1→?)-?-D-GlcNAc-(1→?)- glycoside. For the structure shown, either one of the R1 atoms and two of the R2 atoms represent Neu5Ac-(1→?)-?-D-Gal-(1→?)-?-D-GlcNAc-(1→?)- groups or vice versa; the remaining R1 and R2 atoms are hydrogens.
Last Modified14 October 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC109H178N8O80
Net Charge0
Average Mass (excl. R groups)2880.585
Monoisotopic Mass (excl. R groups)2879.01062
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=2.0/6,14,13/[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][Aad21122h-2x_2-6_5*NCC/3=O]/1-1-2-3-4-5-6-4-5-6-3-4-5-6/a4-b1_b4-c1_d1-c3|c6_k1-c3|c6_d?-e1_d?-h1_e?-f1_f?-g2_h?-i1_i?-j2_k?-l1_l?-m1_m?-n2
ChEBI Ontology
Outgoing Relation(s)
GlyTouCan G93860XO (CHEBI:157638) is a partially-defined glycan (CHEBI:146306)
GlyTouCan G93860XO (CHEBI:157638) is a polysaccharide derivative (CHEBI:65212)
Manual XrefsDatabases
G93860XOGlyTouCan
G93860XOGlyGen