EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:147991 - 2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS
| Formula | C12H19NO17S2 |
| Net Charge | 0 |
| Average Mass | 513.408 |
| Monoisotopic Mass | 513.00944 |
| SMILES | O=C(O)C1=C(O)[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@H](O)O[C@@H]2CO)O1 |
| WURCS | WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NSO/3=O/3=O][a21EEA-1b_1-5_2*OSO/3=O/3=O]/1-2/a4-b1 |
| InChI | InChI=1S/C12H19NO17S2/c14-1-2-7(4(15)3(11(20)27-2)13-31(21,22)23)28-12-9(30-32(24,25)26)6(17)5(16)8(29-12)10(18)19/h2-4,6-7,9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,6+,7-,9-,11-,12+/m1/s1 |
| InChIKey | OEMNEHZTAKEHFK-XEWZJVERSA-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) |
| 2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS (CHEBI:147991) is a disaccharide (CHEBI:36233) |
| 2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS (CHEBI:147991) is a enol (CHEBI:33823) |
| 2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS (CHEBI:147991) is a monocarboxylic acid (CHEBI:25384) |
| 2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS (CHEBI:147991) is a oligosaccharide sulfate (CHEBI:37909) |
| 2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS (CHEBI:147991) is a sulfamic acids (CHEBI:35719) |
| IUPAC Name |
|---|
| 2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl)-β-D-glucopyranose |
| Synonym | Source |
|---|---|
| (2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid | IUPAC |