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CHEBI:33070 - indole-3-butyric acid
| Formula | C12H13NO2 |
| Net Charge | 0 |
| Average Mass | 203.241 |
| Monoisotopic Mass | 203.09463 |
| SMILES | O=C(O)CCCc1cnc2ccccc12 |
| InChI | InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) |
| InChIKey | JTEDVYBZBROSJT-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | auxin Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek αυξανω, "to grow"). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. plant hormone A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| indole-3-butyric acid (CHEBI:33070) has functional parent butyric acid (CHEBI:30772) |
| indole-3-butyric acid (CHEBI:33070) has role auxin (CHEBI:22676) |
| indole-3-butyric acid (CHEBI:33070) has role plant hormone (CHEBI:37848) |
| indole-3-butyric acid (CHEBI:33070) has role plant metabolite (CHEBI:76924) |
| indole-3-butyric acid (CHEBI:33070) is a indol-3-yl carboxylic acid (CHEBI:24810) |
| indole-3-butyric acid (CHEBI:33070) is conjugate acid of indole-3-butyrate (CHEBI:143274) |
| Incoming Relation(s) |
| N2-[4-(indol-3-yl)butanoyl]-L-glutamine (CHEBI:144365) has functional parent indole-3-butyric acid (CHEBI:33070) |
| 4-(indol-3-yl)butanoyl-β-D-glucose (CHEBI:145927) has functional parent indole-3-butyric acid (CHEBI:33070) |
| indole-3-butyrate (CHEBI:143274) is conjugate base of indole-3-butyric acid (CHEBI:33070) |
| IUPAC Name |
|---|
| 4-(1H-indol-3-yl)butanoic acid |
| Synonyms | Source |
|---|---|
| Indolebutyric acid | KEGG COMPOUND |
| 3-indolyl-γ-butyric acid | ChemIDplus |
| 1H-indole-3-butanoic acid | ChemIDplus |
| 4-(indol-3-yl)butyric acid | ChemIDplus |
| indole-3-butyric acid | ChemIDplus |
| 3-INDOLEBUTYRIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| C11284 | KEGG COMPOUND |
| 3IB | PDBeChem |
| DB02740 | DrugBank |
| Indole-3-butyric_acid | Wikipedia |
| HMDB0002096 | HMDB |
| C00000116 | KNApSAcK |
| 1465 | BPDB |
| Registry Numbers | Sources |
|---|---|
| Gmelin:143637 | Gmelin |
| Beilstein:171120 | Beilstein |
| Reaxys:171120 | Reaxys |
| CAS:133-32-4 | KEGG COMPOUND |
| CAS:133-32-4 | ChemIDplus |
| Citations |
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