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CHEBI:81625 - 1,2-dihydropyrene-2-carboxylic acid
| Formula | C17H12O2 |
| Net Charge | 0 |
| Average Mass | 248.281 |
| Monoisotopic Mass | 248.08373 |
| SMILES | O=C(O)C1C=c2ccc3cccc4ccc(c2c43)C1 |
| InChI | InChI=1S/C17H12O2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-8,14H,9H2,(H,18,19) |
| InChIKey | BGDJGAAPLUVPMU-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mycobacterium sp. RJGII-135 (ncbitaxon:232019) | - | PubMed (10735846) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,2-dihydropyrene-2-carboxylic acid (CHEBI:81625) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| 1,2-dihydropyrene-2-carboxylic acid (CHEBI:81625) is a carbotetracyclic compound (CHEBI:177332) |
| 1,2-dihydropyrene-2-carboxylic acid (CHEBI:81625) is a monocarboxylic acid (CHEBI:25384) |
| 1,2-dihydropyrene-2-carboxylic acid (CHEBI:81625) is a pyrenes (CHEBI:59659) |
| IUPAC Name |
|---|
| 1,2-dihydropyrene-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| 7,8-dihydropyrene-7-carboxylic acid | ChEBI |
| 7,8-dihydro-pyrene-7-carboxylic acid | ChEBI |
| Citations |
|---|