EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:148016 - β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA
| Formula | C20H31NO18 |
| Net Charge | 0 |
| Average Mass | 573.457 |
| Monoisotopic Mass | 573.15411 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/2,3,2/[a2122A-1b_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-1/a4-b1_b4-c1 |
| InChI | InChI=1S/C20H31NO18/c1-3(23)21-5-6(24)12(37-20-11(29)7(25)8(26)14(39-20)16(30)31)4(2-22)35-19(5)38-13-9(27)10(28)18(34)36-15(13)17(32)33/h4-15,18-20,22,24-29,34H,2H2,1H3,(H,21,23)(H,30,31)(H,32,33)/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13+,14+,15+,18-,19-,20-/m1/s1 |
| InChIKey | NOGBGQPTLVZXJG-IORNXFOBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:148016) is a acetamides (CHEBI:22160) |
| β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:148016) is a amino trisaccharide (CHEBI:59266) |
| β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:148016) is a glucosamine oligosaccharide (CHEBI:22485) |
| IUPAC Names |
|---|
| GlcA(b1-4)GlcNAc(a1-4)b-GlcA |
| β-D-glucopyranuronosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronic acid |
| Synonyms | Source |
|---|---|
| β-D-gluco-hexopyranosyluronic acid-(1→4)-2-acetamido-2-deoxy-α-D-gluco-hexopyranosyl-(1→4)-β-D-gluco-hexopyranuronic acid | IUPAC |
| (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4R,5R,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | IUPAC |