EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H30O4 |
| Net Charge | 0 |
| Average Mass | 310.434 |
| Monoisotopic Mass | 310.21441 |
| SMILES | CC[C@H](O)/C=C/[C@H]1C(=O)CC[C@H]1CCCCCCCC(=O)O |
| InChI | InChI=1S/C18H30O4/c1-2-15(19)11-12-16-14(10-13-17(16)20)8-6-4-3-5-7-9-18(21)22/h11-12,14-16,19H,2-10,13H2,1H3,(H,21,22)/b12-11+/t14-,15+,16-/m1/s1 |
| InChIKey | PKRZLEANFJWLEJ-PHMYGAEPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 16-L1-PhytoP (CHEBI:186711) is a prostanoid (CHEBI:26347) |
| IUPAC Name |
|---|
| 8-[(1R,2S)-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid |
| Manual Xrefs | Databases |
|---|---|
| LMFA02030027 | LIPID MAPS |
| 113369242 | ChemSpider |