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CHEBI:150151 - α-D-GlcpNAc-(1→4)-β-D-GlcpA
| Formula | C14H23NO12 |
| Net Charge | 0 |
| Average Mass | 397.333 |
| Monoisotopic Mass | 397.12203 |
| 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]1O |
| WURCS | WURCS=2.0/2,2,1/[a2122A-1b_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2/a4-b1 |
| InChI | InChI=1S/C14H23NO12/c1-3(17)15-5-7(19)6(18)4(2-16)25-14(5)27-10-8(20)9(21)13(24)26-11(10)12(22)23/h4-11,13-14,16,18-21,24H,2H2,1H3,(H,15,17)(H,22,23)/t4-,5-,6-,7-,8-,9-,10+,11+,13-,14-/m1/s1 |
| InChIKey | LJKKEBYAXYCTNF-RRATVXDJSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:150151) has functional parent N-acetyl-α-D-glucosamine (CHEBI:44278) |
| α-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:150151) has functional parent β-D-glucuronic acid (CHEBI:28860) |
| α-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:150151) is a acetamides (CHEBI:22160) |
| α-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:150151) is a amino disaccharide (CHEBI:22480) |
| α-D-GlcpNAc-(1→4)-β-D-GlcpA (CHEBI:150151) is a monocarboxylic acid (CHEBI:25384) |
| IUPAC Names |
|---|
| GlcNAc(a1-4)b-GlcA |
| 4-O-(2-acetamido-2-deoxy-α-D-glucopyranosyl)-β-D-glucopyranuronic acid |
| Synonyms | Source |
|---|---|
| 2-acetamido-2-deoxy-α-D-gluco-hexopyranosyl-(1→4)-β-D-gluco-hexopyranuronic acid | IUPAC |
| (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid | IUPAC |