EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:2825 - aristolochic acid A
| Formula | C17H11NO7 |
| Net Charge | 0 |
| Average Mass | 341.275 |
| Monoisotopic Mass | 341.05355 |
| SMILES | COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3 |
| InChI | InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20) |
| InChIKey | BBFQZRXNYIEMAW-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aristolochia (ncbitaxon:12947) | - | PubMed (PMID:21141875) | |
| Aristolochia argentina (ncbitaxon:158534) | - | PubMed (PMID:21141875) |
| Roles Classification |
|---|
| Chemical Roles: | 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: | nephrotoxin A toxin that is produced by a biological organism such as a microbe, animal or plant which interferes with the function of the kidney in animals. 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. 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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. nephrotoxin A toxin that is produced by a biological organism such as a microbe, animal or plant which interferes with the function of the kidney in animals. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| aristolochic acid A (CHEBI:2825) has role carcinogenic agent (CHEBI:50903) |
| aristolochic acid A (CHEBI:2825) has role metabolite (CHEBI:25212) |
| aristolochic acid A (CHEBI:2825) has role mutagen (CHEBI:25435) |
| aristolochic acid A (CHEBI:2825) has role nephrotoxin (CHEBI:61015) |
| aristolochic acid A (CHEBI:2825) is a C-nitro compound (CHEBI:35716) |
| aristolochic acid A (CHEBI:2825) is a aristolochic acids (CHEBI:194147) |
| aristolochic acid A (CHEBI:2825) is a aromatic ether (CHEBI:35618) |
| aristolochic acid A (CHEBI:2825) is a cyclic acetal (CHEBI:59770) |
| aristolochic acid A (CHEBI:2825) is a monocarboxylic acid (CHEBI:25384) |
| aristolochic acid A (CHEBI:2825) is a organic heterotetracyclic compound (CHEBI:38163) |
| Incoming Relation(s) |
| aristoloterpenate-I (CHEBI:132825) has functional parent aristolochic acid A (CHEBI:2825) |
| IUPAC Name |
|---|
| 8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid |
| Synonyms | Source |
|---|---|
| Aristolochic acid | KEGG COMPOUND |
| Aristolochic acid I | KEGG COMPOUND |
| aristolochic acid A | ChemIDplus |
| aristolochin | ChemIDplus |
| 8-methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid | ChemIDplus |
| 3,4-methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid | ChemIDplus |
| Citations |
|---|