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CHEBI:133474 - desmethylnaproxen
| Formula | C13H12O3 |
| Net Charge | 0 |
| Average Mass | 216.236 |
| Monoisotopic Mass | 216.07864 |
| SMILES | C[C@H](C(=O)O)c1ccc2cc(O)ccc2c1 |
| InChI | InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/t8-/m0/s1 |
| InChIKey | XWJUDDGELKXYNO-QMMMGPOBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (1400803) |
| Roles Classification |
|---|
| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| desmethylnaproxen (CHEBI:133474) has role drug metabolite (CHEBI:49103) |
| desmethylnaproxen (CHEBI:133474) has role environmental contaminant (CHEBI:78298) |
| desmethylnaproxen (CHEBI:133474) has role human blood serum metabolite (CHEBI:85234) |
| desmethylnaproxen (CHEBI:133474) has role human urinary metabolite (CHEBI:84087) |
| desmethylnaproxen (CHEBI:133474) is a monocarboxylic acid (CHEBI:25384) |
| desmethylnaproxen (CHEBI:133474) is a naphthols (CHEBI:25392) |
| desmethylnaproxen (CHEBI:133474) is conjugate acid of desmethylnaproxen(1−) (CHEBI:133481) |
| Incoming Relation(s) |
| desmethylnaproxen(1−) (CHEBI:133481) is conjugate base of desmethylnaproxen (CHEBI:133474) |
| IUPAC Name |
|---|
| (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid |
| Synonyms | Source |
|---|---|
| 6-O-Demethylnaproxen | ChemIDplus |
| (S)-6-Hydroxy-alpha-methyl-2-naphthaleneacetic acid | ChemIDplus |
| (S)-2-(6-hydroxy-2-naphthyl)propionic acid | ChEBI |
| (S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8838512 | Reaxys |
| CAS:52079-10-4 | ChemIDplus |
| Citations |
|---|