EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H9O4 |
| Net Charge | -1 |
| Average Mass | 181.167 |
| Monoisotopic Mass | 181.05063 |
| SMILES | O=C([O-])C(=O)/C=C1/C=C[C@H](O)CC1 |
| InChI | InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1,3,5,7,10H,2,4H2,(H,12,13)/p-1/b6-5-/t7-/m0/s1 |
| InChIKey | MPMDLNLJFJLITQ-RBSILHGTSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bacillus subtilis (ncbitaxon:1423) | - | PubMed (23317005) |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvate (CHEBI:84355) has role bacterial metabolite (CHEBI:76969) |
| 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvate (CHEBI:84355) is a 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvate (CHEBI:64789) |
| 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvate (CHEBI:84355) is conjugate base of 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid (CHEBI:85357) |
| Incoming Relation(s) |
| 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid (CHEBI:85357) is conjugate acid of 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvate (CHEBI:84355) |
| IUPAC Name |
|---|
| (3E)-3-[(4R)-4-hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate |
| UniProt Name | Source |
|---|---|
| 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-17511 | MetaCyc |
| Citations |
|---|