EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H12O18S4 |
| Net Charge | 0 |
| Average Mass | 500.412 |
| Monoisotopic Mass | 499.89065 |
| SMILES | [H]O[C@@]1([H])O[C@]([H])(C([H])([H])OS(=O)(=O)O[H])[C@@]([H])(OS(=O)(=O)O[H])[C@]([H])(OS(=O)(=O)O[H])[C@@]1([H])OS(=O)(=O)O[H] |
| InChI | InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1 |
| InChIKey | SPIXVQOXHJQNTH-DVKNGEFBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE (CHEBI:44447) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranose | PDBeChem |
| 2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| NT2 | PDBeChem |