EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:41865 - sebacic acid
| Formula | C10H18O4 |
| Net Charge | 0 |
| Average Mass | 202.250 |
| Monoisotopic Mass | 202.12051 |
| SMILES | O=C(O)CCCCCCCCC(=O)O |
| InChI | InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) |
| InChIKey | CXMXRPHRNRROMY-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Caesalpinia pulcherrima (ncbitaxon:53846) | stem (BTO:0001300) | DOI (10.1021/np0201523) | |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (9439441) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sebacic acid (CHEBI:41865) has parent hydride decane (CHEBI:41808) |
| sebacic acid (CHEBI:41865) has role human metabolite (CHEBI:77746) |
| sebacic acid (CHEBI:41865) has role plant metabolite (CHEBI:76924) |
| sebacic acid (CHEBI:41865) is a dicarboxylic fatty acid (CHEBI:189840) |
| sebacic acid (CHEBI:41865) is a α,ω-dicarboxylic acid (CHEBI:28383) |
| sebacic acid (CHEBI:41865) is conjugate acid of sebacate (CHEBI:132954) |
| sebacic acid (CHEBI:41865) is conjugate acid of sebacate(2−) (CHEBI:76283) |
| Incoming Relation(s) |
| 3-hydroxysebacic acid (CHEBI:89182) has functional parent sebacic acid (CHEBI:41865) |
| decanedioyl-CoA (CHEBI:76345) has functional parent sebacic acid (CHEBI:41865) |
| dimethyl sebacate (CHEBI:194205) has functional parent sebacic acid (CHEBI:41865) |
| sebacate (CHEBI:132954) is conjugate base of sebacic acid (CHEBI:41865) |
| sebacate(2−) (CHEBI:76283) is conjugate base of sebacic acid (CHEBI:41865) |
| IUPAC Name |
|---|
| decanedioic acid |
| Synonyms | Source |
|---|---|
| Sebacic acid | KEGG COMPOUND |
| Decanedioic acid | KEGG COMPOUND |
| 1,10-decanedioic acid | NIST Chemistry WebBook |
| Sebacinsäure | ChEBI |
| SEBACIC ACID | PDBeChem |
| 1,8-dicarboxyoctane | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C08277 | KEGG COMPOUND |
| DEC | PDBeChem |
| LMFA01170006 | LIPID MAPS |
| DB07645 | DrugBank |
| HMDB0000792 | HMDB |
| CPD-3623 | MetaCyc |
| Sebacic_acid | Wikipedia |
| C00001202 | KNApSAcK |
| Citations |
|---|