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CHEBI:133920 - N-hydroxy-PhIP
| Formula | C13H12N4O |
| Net Charge | 0 |
| Average Mass | 240.266 |
| Monoisotopic Mass | 240.10111 |
| SMILES | Cn1c(NO)nc2ncc(-c3ccccc3)cc21 |
| InChI | InChI=1S/C13H12N4O/c1-17-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(17)16-18/h2-8,18H,1H3,(H,14,15,16) |
| InChIKey | DCVWQAGUQFBCTF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Apis cerana (ncbitaxon:7461) | - | MetaboLights (MTBLS379) | |
| Homo Sapiens (ncbitaxon:9606) | - | PubMed (12175520) | |
| Mus musculus (ncbitaxon:10090) | |||
| urine (BTO:0001419) | PubMed (20708442) | ||
| faeces (UBERON:0001988) | PubMed (20708442) | ||
| bile (UBERON:0001970) | PubMed (20708442) | ||
| Rattus norvegicus (ncbitaxon:10116) | - | MetaboLights (7852185) |
| Roles Classification |
|---|
| Chemical Roles: | nitric oxide donor An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide. nucleophilic reagent A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons. |
| Biological Roles: | mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). neurotoxin A poison that interferes with the functions of the nervous system. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. genotoxin A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells. bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of serine-sulfate ammonia-lyase (EC 4.3.1.10). EC 1.1.3.13 (alcohol oxidase) inhibitor An EC 1.1.3.* (oxidoreductase acting on donor CH-OH group, oxygen as acceptor) inhibitor that interferes with the action of alcohol oxidase (EC 1.1.3.13). EC 4.2.1.22 (cystathionine beta-synthase) inhibitor An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of cystathionine β-synthase (EC 4.2.1.22). 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. |
| Application: | nucleophilic reagent A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-hydroxy-PhIP (CHEBI:133920) has functional parent PhIP (CHEBI:76290) |
| N-hydroxy-PhIP (CHEBI:133920) has role carcinogenic agent (CHEBI:50903) |
| N-hydroxy-PhIP (CHEBI:133920) has role genotoxin (CHEBI:50902) |
| N-hydroxy-PhIP (CHEBI:133920) has role human xenobiotic metabolite (CHEBI:76967) |
| N-hydroxy-PhIP (CHEBI:133920) has role mouse metabolite (CHEBI:75771) |
| N-hydroxy-PhIP (CHEBI:133920) has role mutagen (CHEBI:25435) |
| N-hydroxy-PhIP (CHEBI:133920) has role neurotoxin (CHEBI:50910) |
| N-hydroxy-PhIP (CHEBI:133920) has role rat metabolite (CHEBI:86264) |
| N-hydroxy-PhIP (CHEBI:133920) is a hydroxylamine (CHEBI:15429) |
| N-hydroxy-PhIP (CHEBI:133920) is a imidazopyridine (CHEBI:46908) |
| IUPAC Name |
|---|
| N-(1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-ylidene)hydroxylamine |
| Synonyms | Source |
|---|---|
| 2-hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine | ChEBI |
| 2-Hydroxyamino-PhIP | KEGG COMPOUND |
| N-OH-PhIP | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C20286 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8393164 | Reaxys |
| CAS:124489-20-9 | ChemIDplus |
| CAS:124489-20-9 | KEGG COMPOUND |
| Citations |
|---|