EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H26O6 |
| Net Charge | 0 |
| Average Mass | 338.400 |
| Monoisotopic Mass | 338.17294 |
| SMILES | O=C(O)CC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O |
| InChI | InChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/b2-1+,6-3-,9-4+,10-5-/t15-,16+/m1/s1 |
| InChIKey | XWRIIHRGMKHPHN-LLVPEOCGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Omega-Carboxy-trinor-leukotriene B4 (CHEBI:172560) is a long-chain fatty acid (CHEBI:15904) |
| IUPAC Name |
|---|
| (4Z,7S,8E,10E,12Z,14R)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid |
| Manual Xrefs | Databases |
|---|---|
| 30776683 | ChemSpider |
| HMDB0013032 | HMDB |