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CHEBI:90702 - carboxy-PTIO
| Formula | C14H17N2O4 |
| Net Charge | 0 |
| Average Mass | 277.300 |
| Monoisotopic Mass | 277.11883 |
| SMILES | CC1(C)N([O])C(c2ccc(C(=O)O)cc2)=[N+]([O-])C1(C)C |
| 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 |
| Roles Classification |
|---|
| Chemical Roles: | 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 (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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. 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). 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). drug allergen Any drug which causes the onset of an allergic reaction. 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). human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | 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). drug allergen Any drug which causes the onset of an allergic reaction. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 acid of carboxylato-PTIO (CHEBI:90704) |
| Incoming Relation(s) |
| carboxylato-PTIO (CHEBI:90704) is conjugate base of carboxy-PTIO (CHEBI:90702) |
| IUPAC Name |
|---|
| [2-(4-carboxyphenyl)-4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3λ5-imidazol-1-yl]oxidanyl |
| Synonyms | Source |
|---|---|
| 2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide | ChemIDplus |
| 1,3-Dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7040218 | Reaxys |
| Reaxys:14476711 | Reaxys |
| CAS:145757-47-7 | ChemIDplus |
| Citations |
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