EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:6332 - (2S,4S)-hypoglycin B
| Formula | C12H18N2O5 |
| Net Charge | 0 |
| Average Mass | 270.285 |
| Monoisotopic Mass | 270.12157 |
| SMILES | [H][C@@]1(C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)CC1=C |
| InChI | InChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-,9-/m0/s1 |
| InChIKey | UYDZYCPIQSRXKU-CIUDSAMLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Blighia sapida (ncbitaxon:259381) | fruit (BTO:0000486) | PubMed (19653254) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. phytotoxin Any toxin produced by a plant. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,4S)-hypoglycin B (CHEBI:6332) has functional parent (2S,4S)-hypoglycin A (CHEBI:6248) |
| (2S,4S)-hypoglycin B (CHEBI:6332) has role phytotoxin (CHEBI:38231) |
| (2S,4S)-hypoglycin B (CHEBI:6332) has role plant metabolite (CHEBI:76924) |
| (2S,4S)-hypoglycin B (CHEBI:6332) is a 5-L-glutamyl amino acid (CHEBI:15857) |
| (2S,4S)-hypoglycin B (CHEBI:6332) is a cyclopropanes (CHEBI:51454) |
| (2S,4S)-hypoglycin B (CHEBI:6332) is a olefinic compound (CHEBI:78840) |
| Incoming Relation(s) |
| hypoglycin B (CHEBI:136292) has part (2S,4S)-hypoglycin B (CHEBI:6332) |
| IUPAC Name |
|---|
| L-γ-glutamyl-3-[(1S)-2-methylenecyclopropyl]-L-alanine |
| Synonym | Source |
|---|---|
| L-γ-glutamyl-(2S,4S)-hypoglycin A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-9700 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:20294329 | Reaxys |
| Citations |
|---|