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CHEBI:183860 - 1h-indole-1-pentanoic acid, 3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-
| Formula | C21H27NO3 |
| Net Charge | 0 |
| Average Mass | 341.451 |
| Monoisotopic Mass | 341.19909 |
| SMILES | CC1(C)C(C(=O)c2cn(CCCCC(=O)O)c3ccccc23)C1(C)C |
| InChI | InChI=1S/C21H27NO3/c1-20(2)19(21(20,3)4)18(25)15-13-22(12-8-7-11-17(23)24)16-10-6-5-9-14(15)16/h5-6,9-10,13,19H,7-8,11-12H2,1-4H3,(H,23,24) |
| InChIKey | UUTHIAPDCFFQKQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) | |
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#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) |
| 1h-indole-1-pentanoic acid, 3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]- (CHEBI:183860) is a indolyl carboxylic acid (CHEBI:46867) |
| IUPAC Name |
|---|
| 5-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 29341860 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:1451369-33-7 | ChemIDplus |