EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:90005 - 4-Hydroxyisovaleric acid
| Formula | C5H10O3 |
| Net Charge | 0 |
| Average Mass | 118.132 |
| Monoisotopic Mass | 118.06299 |
| SMILES | CC(CO)CC(=O)O |
| InChI | InChI=1S/C5H10O3/c1-4(3-6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8) |
| InChIKey | ZGYGEPZZMAXSKH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (11978597) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Hydroxyisovaleric acid (CHEBI:90005) is a branched-chain fatty acid (CHEBI:35819) |
| Synonyms | Source |
|---|---|
| 4-Hydroxyisopentanoate | HMDB |
| 4-Hydroxyisopentanoic acid | HMDB |
| 4-hydroxy-3-methylbutanoic acid | HMDB |
| 4-Hydroxyisovalerate | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0002011 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:77220-86-1 | KEGG COMPOUND |
| Citations |
|---|