EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C8H12O4 |
| Net Charge | 0 |
| Average Mass | 172.180 |
| Monoisotopic Mass | 172.07356 |
| SMILES | C=C(C)C(CC(=O)O)CC(=O)O |
| InChI | InChI=1S/C8H12O4/c1-5(2)6(3-7(9)10)4-8(11)12/h6H,1,3-4H2,2H3,(H,9,10)(H,11,12) |
| InChIKey | PULOWZXUQOLRBK-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Isopropenylpentanedioic acid (CHEBI:173787) is a methyl-branched fatty acid (CHEBI:62499) |
| IUPAC Name |
|---|
| 3-prop-1-en-2-ylpentanedioic acid |
| Manual Xrefs | Databases |
|---|---|
| 21105929 | ChemSpider |
| HMDB0032352 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:6839-75-4 | ChemIDplus |