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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. 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). 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. 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). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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. 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. 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). |
| 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 |
|---|---|
| 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 | Sources |
|---|---|
| Reaxys:14476711 | Reaxys |
| Reaxys:7040218 | Reaxys |
| CAS:145757-47-7 | ChemIDplus |
| Citations |
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