EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H31NO5S |
| Net Charge | 0 |
| Average Mass | 421.559 |
| Monoisotopic Mass | 421.19229 |
| SMILES | C/C(=C/C(=O)O)CC/C=C/C=C\[C@@H](C)CC[C@@H](O)CCCC(=O)c1csc(=O)n1 |
| InChI | InChI=1S/C22H31NO5S/c1-16(8-5-3-4-6-9-17(2)14-21(26)27)12-13-18(24)10-7-11-20(25)19-15-29-22(28)23-19/h3-5,8,14-16,18,24H,6-7,9-13H2,1-2H3,(H,23,28)(H,26,27)/b4-3+,8-5-,17-14-/t16-,18+/m1/s1 |
| InChIKey | FZDDIXDEVGJIDX-ORZJUEFXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cacospongia mycofijiensis (ncbitaxon:1162744) | - | PubMed (22129061) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| apo latrunculin T (CHEBI:69140) has role metabolite (CHEBI:25212) |
| apo latrunculin T (CHEBI:69140) is a long-chain fatty acid (CHEBI:15904) |
| Citations |
|---|