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CHEBI:68503 - 3-methyladipic acid
| Formula | C7H12O4 |
| Net Charge | 0 |
| Average Mass | 160.169 |
| Monoisotopic Mass | 160.07356 |
| SMILES | CC(CCC(=O)O)CC(=O)O |
| InChI | InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) |
| InChIKey | SYEOWUNSTUDKGM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (22770225) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methyladipic acid (CHEBI:68503) has functional parent adipic acid (CHEBI:30832) |
| 3-methyladipic acid (CHEBI:68503) has role human urinary metabolite (CHEBI:84087) |
| 3-methyladipic acid (CHEBI:68503) is a dicarboxylic fatty acid (CHEBI:189840) |
| 3-methyladipic acid (CHEBI:68503) is a α,ω-dicarboxylic acid (CHEBI:28383) |
| 3-methyladipic acid (CHEBI:68503) is conjugate acid of 3-methyladipate (CHEBI:132959) |
| 3-methyladipic acid (CHEBI:68503) is conjugate acid of 3-methyladipate(2−) (CHEBI:86387) |
| Incoming Relation(s) |
| 3-methyladipate (CHEBI:132959) is conjugate base of 3-methyladipic acid (CHEBI:68503) |
| 3-methyladipate(2−) (CHEBI:86387) is conjugate base of 3-methyladipic acid (CHEBI:68503) |
| IUPAC Name |
|---|
| 3-methylhexanedioic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0000555 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1723870 | Reaxys |
| CAS:3058-01-3 | ChemIDplus |
| Citations |
|---|