EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H36O2 |
| Net Charge | 0 |
| Average Mass | 332.528 |
| Monoisotopic Mass | 332.27153 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCCCC(=O)O |
| InChI | InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,16-15- |
| InChIKey | UOFNKTZBIIBWQR-OUJQXAOTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 22:4(7Z,13Z,16Z,19Z) (CHEBI:186616) is a very long-chain fatty acid (CHEBI:27283) |
| IUPAC Name |
|---|
| (7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenoic acid |
| Manual Xrefs | Databases |
|---|---|
| 75531258 | ChemSpider |
| LMFA04000063 | LIPID MAPS |