CHEBI:133474 - desmethylnaproxen

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ChEBI Name desmethylnaproxen
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
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Formula C13H12O3
Net Charge 0
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
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.
View more via ChEBI Ontology
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)
(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
Registry Numbers Types Sources
52079-10-4 CAS Registry Number ChemIDplus
8838512 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1400763 PubMed citation Europe PMC
1400768 PubMed citation Europe PMC
1400803 PubMed citation Europe PMC
16187975 PubMed citation Europe PMC
16305588 PubMed citation Europe PMC
20006341 PubMed citation Europe PMC
2438972 PubMed citation Europe PMC
2566468 PubMed citation Europe PMC
3558575 PubMed citation Europe PMC
7086653 PubMed citation Europe PMC
712339 PubMed citation Europe PMC
8218967 PubMed citation Europe PMC
8512758 PubMed citation Europe PMC
Last Modified
28 September 2016