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CHEBI:91151 - 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid
| Formula | C12H12N2O2 |
| Net Charge | 0 |
| Average Mass | 216.240 |
| Monoisotopic Mass | 216.08988 |
| SMILES | O=C(O)C1Cc2c(nc3ccccc23)CN1 |
| InChI | InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16) |
| InChIKey | FSNCEEGOMTYXKY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arabidopsis thaliana (ncbitaxon:3702) | |||
| root (BTO:0001188) | PubMed (25457500) | ||
| root (BTO:0001188) | MetaboLights (MTBLS160) | ||
| Citrus reticulata (ncbitaxon:85571) | fruit (BTO:0000486) | PubMed (10606547) | |
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (8452569) | |
| Citrus limon (ncbitaxon:2708) | fruit (BTO:0000486) | PubMed (10606547) | |
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (2019874) | |
| Citrus sinensis (ncbitaxon:2711) | fruit (BTO:0000486) | PubMed (10606547) | |
| Citrus x paradisi (ncbitaxon:37656) | fruit (BTO:0000486) | PubMed (10606547) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). 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. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. 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) |
| 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) has role human urinary metabolite (CHEBI:84087) |
| 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) has role human xenobiotic metabolite (CHEBI:76967) |
| 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) has role plant metabolite (CHEBI:76924) |
| 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) has role rat metabolite (CHEBI:86264) |
| 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) is a aromatic amino acid (CHEBI:33856) |
| 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) is a α-amino acid (CHEBI:33704) |
| 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) is a β-carboline alkaloid (CHEBI:83325) |
| IUPAC Name |
|---|
| 2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid |
| Synonyms | Source |
|---|---|
| 3-Carboxy-1,2,3,4-tetrahydro-2-carboline | ChEBI |
| NSC 96912 | ChemIDplus |
| 1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid | ChemIDplus |
| CCRIS 6486 | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:86484 | Reaxys |
| CAS:6052-68-2 | ChemIDplus |
| Citations |
|---|