EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H22O14S |
| Net Charge | 0 |
| Average Mass | 422.361 |
| Monoisotopic Mass | 422.07303 |
| SMILES | O=S(=O)(O)O[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/2,2,1/[a2122h-1b_1-5][a2112h-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1 |
| InChI | InChI=1S/C12H22O14S/c13-1-3-5(15)6(16)10(26-27(20,21)22)12(24-3)25-9-4(2-14)23-11(19)8(18)7(9)17/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12-/m1/s1 |
| InChIKey | RUUIOLVDWYFRBH-LJXPPPJUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Galp 2S-(1→4)-β-D-Galp (CHEBI:151950) has functional parent α-D-Galp-(1→4)-β-D-Glcp (CHEBI:148271) |
| α-D-Galp 2S-(1→4)-β-D-Galp (CHEBI:151950) is a disaccharide derivative (CHEBI:63353) |
| α-D-Galp 2S-(1→4)-β-D-Galp (CHEBI:151950) is a oligosaccharide sulfate (CHEBI:37909) |
| IUPAC Names |
|---|
| Gal2S(a1-4)b-Glc |
| 4-O-(2-O-sulfo-α-D-galactopyranosyl)-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 2-O-sulfo-α-D-galacto-hexopyranosyl-(1→4)-β-D-gluco-hexopyranose | IUPAC |
| [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl] hydrogen sulfate | IUPAC |