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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 |
|---|---|---|---|
| Brassica napus (ncbitaxon:3708) | |||
| - | MetaboLights (MTBLS312) | ||
| - | PubMed (27500669) | ||
| 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) | ||
| 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: | marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). Brassica napus metabolite Any plant metabolite that is produced by rapeseed (Brassica napus). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. 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. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| 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 |
| 2-(5-methoxyindole-3-yl)acetic acid | ChEBI |
| 5-Methoxyindol-3-ylacetic acid | HMDB |
| 5-Methoxyindoleacetic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C05660 | KEGG COMPOUND |
| CPD-12020 | MetaCyc |
| HMDB0004096 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:187161 | Reaxys |
| CAS:3471-31-6 | ChemIDplus |
| Citations |
|---|