EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:206540 - SNF-4794-12
| Formula | C31H56O7S |
| Net Charge | 0 |
| Average Mass | 572.849 |
| Monoisotopic Mass | 572.37468 |
| SMILES | CCCCCCCCC(O)C(O)CCCCCCCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1 |
| InChI | InChI=1S/C31H56O7S/c1-2-3-4-5-16-19-22-30(33)31(34)23-20-17-14-12-10-8-6-7-9-11-13-15-18-21-27-24-28(32)26-29(25-27)38-39(35,36)37/h24-26,30-34H,2-23H2,1H3,(H,35,36,37) |
| InChIKey | WCKTYVLAIUWOQF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomellaspecies (ncbitaxon:2052794) | - | PubMed (12715877) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| SNF-4794-12 (CHEBI:206540) is a aryl sulfate (CHEBI:37919) |
| IUPAC Name |
|---|
| [3-(16,17-dihydroxypentacosyl)-5-hydroxyphenyl] hydrogen sulate |
| Manual Xrefs | Databases |
|---|---|
| 9941659 | ChemSpider |