EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C35H60O4 |
| Net Charge | 0 |
| Average Mass | 544.861 |
| Monoisotopic Mass | 544.44916 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CCCCCCCCCCCCC)C(=O)O |
| InChI | InChI=1S/C35H60O4/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-34(36)39-33(35(37)38)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,24,26,33H,3-10,12,14-15,18,21-23,25,27-32H2,1-2H3,(H,37,38)/b13-11-,17-16-,20-19-,26-24- |
| InChIKey | BKZDDLOJJBZCCH-WNMCIRLGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | INS-1 cell (BTO:0002135) | MetaboLights (MTBLS3963) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-arahpda [dmed-fahfa] (CHEBI:190984) is a long-chain fatty acid (CHEBI:15904) |
| IUPAC Name |
|---|
| 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypentadecanoic acid |