EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H41NO3S |
| Net Charge | 0 |
| Average Mass | 435.674 |
| Monoisotopic Mass | 435.28072 |
| SMILES | CC(=O)N[C@@H](CSCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)O |
| InChI | InChI=1S/C25H41NO3S/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-30-18-24(25(28)29)26-23(6)27/h10,12,14,16,24H,7-9,11,13,15,17-18H2,1-6H3,(H,26,27)(H,28,29)/t24-/m0/s1 |
| InChIKey | PKFBJSDMCRJYDC-DEOSSOPVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R)-2-acetamido-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenylthio)propanoic acid (CHEBI:94737) is a diterpenoid (CHEBI:23849) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5828 | LINCS |