EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H12O4 |
| Net Charge | 0 |
| Average Mass | 160.169 |
| Monoisotopic Mass | 160.07356 |
| SMILES | [H]OC(=O)C([H])(C(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] |
| InChI | InChI=1S/C7H12O4/c1-4(2)3-5(6(8)9)7(10)11/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11) |
| InChIKey | FTKIARCSSZWRFJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ISOBUTYL MALONIC ACID (CHEBI:43810) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (2-methylpropyl)propanedioic acid | PDBeChem |
| ISOBUTYL MALONIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| LML | PDBeChem |