EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:64025 - β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-D-GlcpNAc
| Formula | C22H36N2O17 |
| Net Charge | 0 |
| Average Mass | 600.527 |
| Monoisotopic Mass | 600.20140 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2122A-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b1_b4-c1 |
| InChI | InChI=1S/C22H36N2O17/c1-5(27)23-9-13(31)11(29)7(3-25)38-21(9)40-17-14(32)15(33)22(41-18(17)19(34)35)39-16-10(24-6(2)28)20(36)37-8(4-26)12(16)30/h7-18,20-22,25-26,29-33,36H,3-4H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,20?,21+,22-/m1/s1 |
| InChIKey | AFEUFAVYWMAMHL-DOITZICDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-D-GlcpNAc (CHEBI:64025) is a amino trisaccharide (CHEBI:59266) |
| Incoming Relation(s) |
| β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNAc (CHEBI:145624) is a β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-D-GlcpNAc (CHEBI:64025) |
| IUPAC Name |
|---|
| 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-D-glucopyranose |
| Synonyms | Source |
|---|---|
| β-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-D-GlcNAc | ChEBI |
| (GlcA)1 (GlcNAc)2 | KEGG GLYCAN |