EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:28281 - 5-methoxyindole-3-acetic acid
| Formula | C11H11NO3 |
| Net Charge | 0 |
| Average Mass | 205.213 |
| Monoisotopic Mass | 205.07389 |
| SMILES | COc1ccc2ncc(CC(=O)O)c2c1 |
| InChI | InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) |
| InChIKey | COCNDHOPIHDTHK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| saliva (UBERON:0001836) | Article (Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles. ) | ||
| urine (BTO:0001419) | PubMed (2580458) | ||
| Brassica napus (ncbitaxon:3708) | |||
| - | MetaboLights (MTBLS312) | ||
| - | PubMed (27500669) | ||
| Oncorhynchus mykiss (ncbitaxon:8022) | - | PubMed (19185928) | |
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (16141651) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. Brassica napus metabolite Any plant metabolite that is produced by rapeseed (Brassica napus). 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. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methoxyindole-3-acetic acid (CHEBI:28281) has role Brassica napus metabolite (CHEBI:140165) |
| 5-methoxyindole-3-acetic acid (CHEBI:28281) has role antibacterial agent (CHEBI:33282) |
| 5-methoxyindole-3-acetic acid (CHEBI:28281) has role carcinogenic agent (CHEBI:50903) |
| 5-methoxyindole-3-acetic acid (CHEBI:28281) has role human urinary metabolite (CHEBI:84087) |
| 5-methoxyindole-3-acetic acid (CHEBI:28281) has role marine xenobiotic metabolite (CHEBI:83399) |
| 5-methoxyindole-3-acetic acid (CHEBI:28281) has role rat metabolite (CHEBI:86264) |
| 5-methoxyindole-3-acetic acid (CHEBI:28281) is a aromatic ether (CHEBI:35618) |
| 5-methoxyindole-3-acetic acid (CHEBI:28281) is a indole-3-acetic acids (CHEBI:24803) |
| IUPAC Name |
|---|
| 2-(5-methoxy-1H-indol-3-yl)acetic acid |
| Synonyms | Source |
|---|---|
| 2-(5-methoxy-1H-indol-3-yl)ethanoic acid | ChEBI |
| 5-Methoxyindol-3-ylacetic acid | HMDB |
| 5-Methoxyindoleacetic acid | HMDB |
| 2-(5-methoxyindole-3-yl)acetic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C05660 | KEGG COMPOUND |
| HMDB0004096 | HMDB |
| CPD-12020 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:187161 | Reaxys |
| CAS:3471-31-6 | ChemIDplus |
| Citations |
|---|