EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:183398 - JWH 250 N-pentanoic acid metabolite
| Formula | C22H23NO4 |
| Net Charge | 0 |
| Average Mass | 365.429 |
| Monoisotopic Mass | 365.16271 |
| SMILES | COc1ccccc1CC(=O)c1cn(CCCCC(=O)O)c2ccccc12 |
| InChI | InChI=1S/C22H23NO4/c1-27-21-11-5-2-8-16(21)14-20(24)18-15-23(13-7-6-12-22(25)26)19-10-4-3-9-17(18)19/h2-5,8-11,15H,6-7,12-14H2,1H3,(H,25,26) |
| InChIKey | ZJUJIZZOEBFIKY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bombus terrestris (ncbitaxon:30195) | |||
| hemolymph (BTO:0000572) | MetaboLights (MTBLS3637) | ||
| hindgut (BTO:0000510) | MetaboLights (MTBLS3637) | ||
| brain (BTO:0000142) | MetaboLights (MTBLS3637) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| JWH 250 N-pentanoic acid metabolite (CHEBI:183398) is a indoles (CHEBI:24828) |
| IUPAC Name |
|---|
| 5-[3-[2-(2-methoxyphenyl)acetyl]indol-1-yl]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 29341859 | ChemSpider |