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CHEBI:131429 - carcinine
| Formula | C8H14N4O |
| Net Charge | 0 |
| Average Mass | 182.227 |
| Monoisotopic Mass | 182.11676 |
| SMILES | NCCC(=O)NCCc1cncn1 |
| InChI | InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13) |
| InChIKey | ANRUJJLGVODXIK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Carcinus maenas (ncbitaxon:6759) | - | PubMed (2421673) | |
| Drosophila melanogaster (ncbitaxon:7227) | - | PubMed (26765065) |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Role: | crustacean metabolite An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| carcinine (CHEBI:131429) has functional parent histamine (CHEBI:18295) |
| carcinine (CHEBI:131429) has role antioxidant (CHEBI:22586) |
| carcinine (CHEBI:131429) has role crustacean metabolite (CHEBI:83039) |
| carcinine (CHEBI:131429) is a imidazoles (CHEBI:24780) |
| carcinine (CHEBI:131429) is a monocarboxylic acid amide (CHEBI:29347) |
| carcinine (CHEBI:131429) is a β-alanine derivative (CHEBI:22823) |
| carcinine (CHEBI:131429) is conjugate base of carcininium (CHEBI:192797) |
| Incoming Relation(s) |
| carcininium (CHEBI:192797) is conjugate acid of carcinine (CHEBI:131429) |
| IUPAC Name |
|---|
| N-[2-(1H-imidazol-4-yl)ethyl]-β-alaninamide |
| Synonyms | Source |
|---|---|
| beta-Alanylhistamine | ChemIDplus |
| β-alaninylhistamine | ChEBI |
| β-alanyl-histamine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0249666 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6804743 | Reaxys |
| CAS:56897-53-1 | ChemIDplus |
| Citations |
|---|