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CHEBI:89182 - 3-hydroxysebacic acid
| Formula | C10H18O5 |
| Net Charge | 0 |
| Average Mass | 218.249 |
| Monoisotopic Mass | 218.11542 |
| SMILES | O=C(O)CCCCCCC(O)CC(=O)O |
| InChI | InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15) |
| InChIKey | OQYZCCKCJQWHIE-UHFFFAOYSA-N |
| 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-hydroxysebacic acid (CHEBI:89182) has functional parent sebacic acid (CHEBI:41865) |
| 3-hydroxysebacic acid (CHEBI:89182) has role human urinary metabolite (CHEBI:84087) |
| 3-hydroxysebacic acid (CHEBI:89182) is a 3-hydroxy carboxylic acid (CHEBI:61355) |
| 3-hydroxysebacic acid (CHEBI:89182) is a dicarboxylic fatty acid (CHEBI:189840) |
| 3-hydroxysebacic acid (CHEBI:89182) is a α,ω-dicarboxylic acid (CHEBI:28383) |
| 3-hydroxysebacic acid (CHEBI:89182) is conjugate acid of 3-hydroxysebacate (CHEBI:132934) |
| 3-hydroxysebacic acid (CHEBI:89182) is conjugate acid of 3-hydroxysebacate(2−) (CHEBI:132935) |
| Incoming Relation(s) |
| 3-hydroxysebacate (CHEBI:132934) is conjugate base of 3-hydroxysebacic acid (CHEBI:89182) |
| 3-hydroxysebacate(2−) (CHEBI:132935) is conjugate base of 3-hydroxysebacic acid (CHEBI:89182) |
| IUPAC Name |
|---|
| 3-hydroxydecanedioic acid |
| Synonyms | Source |
|---|---|
| 3-Hydroxy-decanedioic acid | HMDB |
| 3-hydroxy-sebacic acid | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| HMDB0000350 | HMDB |
| LMFA01170092 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10676440 | Reaxys |
| CAS:68812-93-1 | ChemIDplus |
| Citations |
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