EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:156429 - tabtoxin
| Formula | C11H19N3O6 |
| Net Charge | 0 |
| Average Mass | 289.288 |
| Monoisotopic Mass | 289.12739 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC[C@]1(O)CNC1=O)C(=O)O |
| InChI | InChI=1S/C11H19N3O6/c1-5(15)7(9(17)18)14-8(16)6(12)2-3-11(20)4-13-10(11)19/h5-7,15,20H,2-4,12H2,1H3,(H,13,19)(H,14,16)(H,17,18)/t5-,6+,7+,11+/m1/s1 |
| InChIKey | BFSBNVPBVGFFCF-WDOVLDDZSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pseudomonas amygdali pv. tabaci (ncbitaxon:322) | - | PubMed (2836363) | |
| Pseudomonas coronafaciens pv. coronafaciens (ncbitaxon:235275) | - | PubMed (1314808) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tabtoxin (CHEBI:156429) has functional parent tabtoxinine β-lactam (CHEBI:156430) |
| tabtoxin (CHEBI:156429) has role bacterial metabolite (CHEBI:76969) |
| tabtoxin (CHEBI:156429) has role toxin (CHEBI:27026) |
| tabtoxin (CHEBI:156429) is a L-threonine derivative (CHEBI:84189) |
| tabtoxin (CHEBI:156429) is a dipeptide (CHEBI:46761) |
| tabtoxin (CHEBI:156429) is a monobactam (CHEBI:50695) |
| tabtoxin (CHEBI:156429) is a secondary alcohol (CHEBI:35681) |
| IUPAC Name |
|---|
| N-{(2S)-2-amino-4-[(3S)-3-hydroxy-2-oxoazetidin-3-yl]butanoyl}-L-threonine |
| Synonyms | Source |
|---|---|
| (2S,3R)-2-({(2S)-2-amino-4-[(3S)-3-hydroxy-2-oxoazetidin-3-yl]butanoyl}amino)-3-hydroxybutanoic acid | IUPAC |
| N-((2S)-2-amino-4-((3S)-3-hydroxy-2-oxo-3-azetidinyl)-1-oxobutyl)-L-threonine | ChemIDplus |
| wildfire toxin | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:40957-90-2 | ChemIDplus |
| Citations |
|---|