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CHEBI:229358 - 3-Methyl-1-adamantanecarboxylic acid
| Formula | C12H18O2 |
| Net Charge | 0 |
| Average Mass | 194.274 |
| Monoisotopic Mass | 194.13068 |
| SMILES | CC12CC3CC(C1)CC(C(=O)O)(C3)C2 |
| InChI | InChI=1S/C12H18O2/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)10(13)14/h8-9H,2-7H2,1H3,(H,13,14) |
| InChIKey | XKTXEVJPJZIGGL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Oryctolagus cuniculus (ncbitaxon:9986) | longissimus thoracis (BTO:0001651) | MetaboLights (MTBLS8958) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Methyl-1-adamantanecarboxylic acid (CHEBI:229358) is a carboxylic acid (CHEBI:33575) |
| IUPAC Name |
|---|
| 3-methyladamantane-1-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 252229 | ChemSpider |