EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:145591 - β-D-GlcpA-(1→3)-β-D-GalpNAc4S
| Formula | C14H23NO15S |
| Net Charge | 0 |
| Average Mass | 477.397 |
| Monoisotopic Mass | 477.07884 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OS(=O)(=O)O)[C@@H](CO)O[C@H]1O |
| WURCS | WURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a2122A-1b_1-5]/1-2/a3-b1 |
| InChI | InChI=1S/C14H23NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/t4-,5-,6+,7+,8-,9+,10-,11+,13-,14-/m1/s1 |
| InChIKey | AVJBPWGFOQAPRH-MMPMEFKSSA-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) |
| β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:145591) has functional parent N-acetyl-β-D-galactosamine 4-sulfate (CHEBI:44391) |
| β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:145591) has functional parent β-D-glucuronic acid (CHEBI:28860) |
| β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:145591) is a amino disaccharide (CHEBI:22480) |
| β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:145591) is a glucuronic acids (CHEBI:33886) |
| β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:145591) is a glycosylgalactose derivative (CHEBI:63360) |
| β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:145591) is a oligosaccharide sulfate (CHEBI:37909) |
| IUPAC Name |
|---|
| 2-acetamido-2-deoxy-3-O-β-D-glucopyranuronosyl-4-O-sulfo-β-D-galactopyranose |
| Synonyms | Source |
|---|---|
| (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | IUPAC |
| GlcA(b1-3)b-GalNAc4S | IUPAC |