EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:48944 - isobutyrate
| Formula | C4H7O2 |
| Net Charge | -1 |
| Average Mass | 87.098 |
| Monoisotopic Mass | 87.04515 |
| SMILES | CC(C)C(=O)[O-] |
| InChI | InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/p-1 |
| InChIKey | KQNPFQTWMSNSAP-UHFFFAOYSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (3572204) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isobutyrate (CHEBI:48944) has functional parent propionate (CHEBI:17272) |
| isobutyrate (CHEBI:48944) has role human metabolite (CHEBI:77746) |
| isobutyrate (CHEBI:48944) has role plant metabolite (CHEBI:76924) |
| isobutyrate (CHEBI:48944) is a branched-chain saturated fatty acid anion (CHEBI:58956) |
| isobutyrate (CHEBI:48944) is a fatty acid anion 4:0 (CHEBI:78115) |
| isobutyrate (CHEBI:48944) is conjugate base of isobutyric acid (CHEBI:16135) |
| Incoming Relation(s) |
| 2-hydroxyisobutyrate (CHEBI:19641) has functional parent isobutyrate (CHEBI:48944) |
| isobutyric acid (CHEBI:16135) is conjugate acid of isobutyrate (CHEBI:48944) |
| IUPAC Name |
|---|
| 2-methylpropanoate |
| Synonyms | Source |
|---|---|
| methylpropanoate | ChEBI |
| isobutanoate | ChEBI |
| 2-methylpropanoic acid, ion(1−) | ChemIDplus |
| iPrCO2 anion | NIST Chemistry WebBook |
| isobutyric acid anion | ChEBI |
| i-butyrate | ChEBI |
| UniProt Name | Source |
|---|---|
| 2-methylpropanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| c0383 | UM-BBD |
| ISOBUTYRATE | MetaCyc |