EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:189517 - Adb-pinaca pentanoic acid metabolite
| Formula | C19H26N4O4 |
| Net Charge | 0 |
| Average Mass | 374.441 |
| Monoisotopic Mass | 374.19541 |
| SMILES | CC(C)(C)C(NC(=O)c1nn(CCCCC(=O)O)c2ccccc12)C(N)=O |
| InChI | InChI=1S/C19H26N4O4/c1-19(2,3)16(17(20)26)21-18(27)15-12-8-4-5-9-13(12)23(22-15)11-7-6-10-14(24)25/h4-5,8-9,16H,6-7,10-11H2,1-3H3,(H2,20,26)(H,21,27)(H,24,25) |
| InChIKey | IVHZMDPVHMCCKJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Oryza sativa (ncbitaxon:4530) | leaf sheath (BTO:0005094) | MetaboLights (MTBLS3518) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Adb-pinaca pentanoic acid metabolite (CHEBI:189517) is a aromatic amide (CHEBI:62733) |
| Adb-pinaca pentanoic acid metabolite (CHEBI:189517) is a indazoles (CHEBI:38769) |
| IUPAC Name |
|---|
| 5-[3-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 29763745 | ChemSpider |