desmethylnaproxen (CHEBI:133474)

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ChEBI Name	desmethylnaproxen

ChEBI ID	CHEBI:133474

Definition	A member of the class of naphthols that is naproxen in which the 6-methoxy group has been demethylated.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H12O3

Net Charge

Average Mass

216.233

Monoisotopic Mass

216.07864

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

SMILES

C1=CC(=CC2=C1C=C(C=C2)[C@@H](C(=O)O)C)O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: PubMed

Roles Classification
Chemical Role(s):	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 (Bronsted base). (via oxoacid )

Biological Role(s):	drug metabolite human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

ChEBI Ontology
Outgoing	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	desmethylnaproxen(1−) (CHEBI:133481) is conjugate base of desmethylnaproxen (CHEBI:133474)

IUPAC Name

(2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid

Synonyms	Sources
(S)-2-(6-hydroxy-2-naphthyl)propionic acid	ChEBI
(S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid	ChEBI
(S)-6-Hydroxy-alpha-methyl-2-naphthaleneacetic acid	ChemIDplus
6-O-Demethylnaproxen	ChemIDplus

Last Modified

28 September 2016