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CHEBI:143885 - 3-hydroxy-3-methylhexanoic acid
| Formula | C7H14O3 |
| Net Charge | 0 |
| Average Mass | 146.186 |
| Monoisotopic Mass | 146.09429 |
| SMILES | CCCC(C)(O)CC(=O)O |
| InChI | InChI=1S/C7H14O3/c1-3-4-7(2,10)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9) |
| InChIKey | RGRNSTGIHROKJB-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hydroxy-3-methylhexanoic acid (CHEBI:143885) has role human metabolite (CHEBI:77746) |
| 3-hydroxy-3-methylhexanoic acid (CHEBI:143885) is a 3-hydroxy monocarboxylic acid (CHEBI:35969) |
| 3-hydroxy-3-methylhexanoic acid (CHEBI:143885) is a volatile organic compound (CHEBI:134179) |
| 3-hydroxy-3-methylhexanoic acid (CHEBI:143885) is conjugate acid of 3-hydroxy-3-methylhexanoate (CHEBI:143555) |
| Incoming Relation(s) |
| N2-(3-hydroxy-3-methylhexanoyl)-L-glutamine (CHEBI:145323) has functional parent 3-hydroxy-3-methylhexanoic acid (CHEBI:143885) |
| 3-hydroxy-3-methylhexanoate (CHEBI:143555) is conjugate base of 3-hydroxy-3-methylhexanoic acid (CHEBI:143885) |
| IUPAC Name |
|---|
| 3-hydroxy-3-methylhexanoic acid |
| Synonyms | Source |
|---|---|
| 3-hydroxy-3-methylhexanoic acid | ChEBI |
| 3-hydroxy-3-methylcaproic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:58888-76-9 | ChEBI |
| Citations |
|---|