EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C4H6O2 |
| Net Charge | 0 |
| Average Mass | 86.090 |
| Monoisotopic Mass | 86.03678 |
| SMILES | [H]/C(C)=C\C(=O)O |
| InChI | InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ |
| InChIKey | LDHQCZJRKDOVOX-NSCUHMNNSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| crotonic acid (CHEBI:41131) has role plant metabolite (CHEBI:76924) |
| crotonic acid (CHEBI:41131) is a 2-butenoic acid (CHEBI:17217) |
| crotonic acid (CHEBI:41131) is conjugate acid of crotonate (CHEBI:35899) |
| Incoming Relation(s) |
| (R)-crotonylcarnitine (CHEBI:84898) has functional parent crotonic acid (CHEBI:41131) |
| crotonoyl-CoA (CHEBI:15473) has functional parent crotonic acid (CHEBI:41131) |
| tiglic acid (CHEBI:9592) has functional parent crotonic acid (CHEBI:41131) |
| crotonate (CHEBI:35899) is conjugate base of crotonic acid (CHEBI:41131) |
| IUPAC Name |
|---|
| (2E)-but-2-enoic acid |
| Synonyms | Source |
|---|---|
| 2-butenoic acid | ChEBI |
| 2-Butenoic acid | KEGG COMPOUND |
| (2E)-2-butenoic acid | ChEBI |
| 3-methylacrylic acid | ChEBI |
| BEO | ChEBI |
| Crotonic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| BEO | PDBeChem |
| C01771 | KEGG COMPOUND |
| CROTONATE | MetaCyc |
| Crotonic_acid | Wikipedia |
| HMDB0010720 | HMDB |
| LMFA01030195 | LIPID MAPS |
| Citations |
|---|