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CHEBI:21484 - N-(indole-3-acetyl)-L-aspartic acid
| Formula | C14H14N2O5 |
| Net Charge | 0 |
| Average Mass | 290.275 |
| Monoisotopic Mass | 290.09027 |
| SMILES | O=C(O)C[C@H](NC(=O)Cc1cnc2ccccc12)C(=O)O |
| InChI | InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1 |
| InChIKey | VAFNMNRKDDAKRM-NSHDSACASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Solanum tuberosum (ncbitaxon:4113) | tuber (BTO:0001400) | PubMed (26708026) | |
| Pisum sativum (ncbitaxon:3888) | - | PubMed (26717013) | |
| Utricularia australis (ncbitaxon:192276) | - | PubMed (27098087) | |
| Eucalyptus globulus (ncbitaxon:34317) | root (BTO:0001188) | DOI (10.1007/s11056-014-9420-1) | |
| Arabidopsis thaliana (ncbitaxon:3702) | - | MetaboLights (MTBLS129) | |
| Glycine max (ncbitaxon:3847) | - | PubMed (25040570) | |
| Aldrovanda vesiculosa (ncbitaxon:173386) | - | PubMed (27098087) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) has functional parent indole-3-acetic acid (CHEBI:16411) |
| N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) has role plant metabolite (CHEBI:76924) |
| N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) is a N-acyl-L-aspartic acid (CHEBI:21647) |
| N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) is a indole-L-aspartic acid conjugate (CHEBI:24820) |
| N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) is a indoleacetic acid amide conjugate (CHEBI:64632) |
| N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) is conjugate acid of N-(indole-3-acetyl)-L-aspartate(2−) (CHEBI:133482) |
| Incoming Relation(s) |
| N-(indole-3-acetyl)-L-aspartate(2−) (CHEBI:133482) is conjugate base of N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) |
| IUPAC Name |
|---|
| N-[(1H-indol-3-yl)acetyl]-L-aspartic acid |
| Synonyms | Source |
|---|---|
| Indole-3-acetyl-L-aspartic acid | KNApSAcK |
| IAASP | ChemIDplus |
| indole-3-acetyl-aspartic acid | MetaCyc |
| indole-3-acetyl-Asp | MetaCyc |
| IAA-Asp | MetaCyc |
| (Indole-3-acetyl)aspartic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C00000117 | KNApSAcK |
| INDOLE-3-ACETYL-ASP | MetaCyc |
| HMDB0038666 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:94247 | Reaxys |
| CAS:2456-73-7 | ChemIDplus |
| Citations |
|---|