CHEBI:90702 - carboxy-PTIO

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name carboxy-PTIO
ChEBI ID CHEBI:90702
Definition A mmeber of the class of imidazolines and organic radical that is 4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3λ5-imidazol-1-yl]oxidanyl substituted at position 2 by a 4-carboxyphenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H17N2O4
Net Charge 0
Average Mass 277.296
Monoisotopic Mass 277.11883
InChI InChI=1S/C14H17N2O4/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18/h5-8H,1-4H3,(H,17,18)
InChIKey KWNDLWPKCDMGTN-UHFFFAOYSA-N
SMILES [O]N1C(C([N+](=C1C=2C=CC(=CC2)C(=O)O)[O-])(C)C)(C)C
Roles Classification
Chemical Role(s): radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): apoptosis inhibitor
Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
algal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
(via benzoic acid )
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of triacylglycerol lipase (EC 3.1.1.3).
(via benzoic acid )
antimicrobial food preservative
A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
(via benzoic acid )
drug allergen
Any drug which causes the onset of an allergic reaction.
(via benzoic acid )
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor
A lipoxygenase inhibitor that interferes with the action of arachidonate 15-lipoxygenase (EC 1.13.11.33).
(via benzoic acid )
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via benzoic acid )
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via benzoic acid )
Application(s): antimicrobial food preservative
A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
(via benzoic acid )
drug allergen
Any drug which causes the onset of an allergic reaction.
(via benzoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing carboxy-PTIO (CHEBI:90702) has role apoptosis inhibitor (CHEBI:68494)
carboxy-PTIO (CHEBI:90702) has role radical scavenger (CHEBI:48578)
carboxy-PTIO (CHEBI:90702) is a benzoic acid (CHEBI:30746)
carboxy-PTIO (CHEBI:90702) is a imidazolines (CHEBI:53095)
carboxy-PTIO (CHEBI:90702) is a organic radical (CHEBI:36872)
carboxy-PTIO (CHEBI:90702) is conjugate base of carboxylato-PTIO (CHEBI:90704)
Incoming carboxylato-PTIO (CHEBI:90704) is conjugate acid of carboxy-PTIO (CHEBI:90702)
IUPAC Name
[2-(4-carboxyphenyl)-4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-5-imidazol-1-yl]oxidanyl
Synonyms Sources
1,3-Dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole ChemIDplus
2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide ChemIDplus
Registry Numbers Types Sources
14476711 Reaxys Registry Number Reaxys
145757-47-7 CAS Registry Number ChemIDplus
7040218 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25331675 PubMed citation Europe PMC
25589143 PubMed citation Europe PMC
25594849 PubMed citation Europe PMC
25724690 PubMed citation Europe PMC
26187694 PubMed citation Europe PMC
26227770 PubMed citation Europe PMC
26405569 PubMed citation Europe PMC
26517822 PubMed citation Europe PMC
26616367 PubMed citation Europe PMC
9119246 PubMed citation Europe PMC
Last Modified
08 July 2016