EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:81394 - indole-5,6-quinone-2-carboxylic acid
| Formula | C9H5NO4 |
| Net Charge | 0 |
| Average Mass | 191.142 |
| Monoisotopic Mass | 191.02186 |
| SMILES | O=C1C=c2cc(C(=O)O)nc2=CC1=O |
| InChI | InChI=1S/C9H5NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10H,(H,13,14) |
| InChIKey | FXURFKFOPCZEKG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (11171088) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) has functional parent 5,6-dihydroxyindole-2-carboxylic acid (CHEBI:2003) |
| indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) has role human metabolite (CHEBI:77746) |
| indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) is a dioxo monocarboxylic acid (CHEBI:35951) |
| indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) is a indolecarboxylic acid (CHEBI:38610) |
| indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) is a indoledione (CHEBI:24793) |
| indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) is a orthoquinones (CHEBI:25622) |
| indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) is conjugate acid of indole-5,6-quinone-2-carboxylate (CHEBI:177869) |
| Incoming Relation(s) |
| indole-5,6-quinone-2-carboxylate (CHEBI:177869) is conjugate base of indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) |
| IUPAC Name |
|---|
| 5,6-dioxo-5,6-dihydro-1H-indole-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| 5,6-bis(oxidanylidene)-1H-indole-2-carboxylic acid | ChEBI |
| 5,6-diketo-1H-indole-2-carboxylic acid | ChEBI |
| 5,6-dioxo-1H-indole-2-carboxylic acid | ChEBI |
| 5,6-indolequinone-2-carboxylic acid | ChEBI |
| Citations |
|---|