EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:132289 - 3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Formula | C11H18N2O3S |
| Net Charge | 0 |
| Average Mass | 258.343 |
| Monoisotopic Mass | 258.10381 |
| SMILES | CCC1C(=O)N2C1CC(SCCN)C2C(=O)O |
| InChI | InChI=1S/C11H18N2O3S/c1-2-6-7-5-8(17-4-3-12)9(11(15)16)13(7)10(6)14/h6-9H,2-5,12H2,1H3,(H,15,16) |
| InChIKey | OJZAYZYCCIMRRC-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces cattleya (ncbitaxon:29303) | - | PubMed (21263049) |
| 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 Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132289) has role bacterial metabolite (CHEBI:76969) |
| 3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132289) is a aliphatic sulfide (CHEBI:22327) |
| 3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132289) is a monocarboxylic acid (CHEBI:25384) |
| 3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132289) is a organic heterobicyclic compound (CHEBI:27171) |
| 3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132289) is a primary amino compound (CHEBI:50994) |
| 3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132289) is a β-lactam (CHEBI:35627) |
| IUPAC Name |
|---|
| 3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| carbapenem biosynthesis intermediate 5 | SUBMITTER |
| 3-(2-aminoethylthio)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C20819 | KEGG COMPOUND |
| Citations |
|---|