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CHEBI:29571 - dehydroabietic acid
| Formula | C20H28O2 |
| Net Charge | 0 |
| Average Mass | 300.442 |
| Monoisotopic Mass | 300.20893 |
| SMILES | [H][C@@]12CCc3cc(C(C)C)ccc3[C@@]1(C)CCC[C@@]2(C)C(=O)O |
| InChI | InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1 |
| InChIKey | NFWKVWVWBFBAOV-MISYRCLQSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dehydroabietic acid (CHEBI:29571) has functional parent abietic acid (CHEBI:28987) |
| dehydroabietic acid (CHEBI:29571) has role allergen (CHEBI:50904) |
| dehydroabietic acid (CHEBI:29571) has role metabolite (CHEBI:25212) |
| dehydroabietic acid (CHEBI:29571) is a abietane diterpenoid (CHEBI:36762) |
| dehydroabietic acid (CHEBI:29571) is a carbotricyclic compound (CHEBI:38032) |
| dehydroabietic acid (CHEBI:29571) is a monocarboxylic acid (CHEBI:25384) |
| dehydroabietic acid (CHEBI:29571) is conjugate acid of dehydroabietate (CHEBI:58621) |
| Incoming Relation(s) |
| dehydroabietate (CHEBI:58621) is conjugate base of dehydroabietic acid (CHEBI:29571) |
| IUPAC Name |
|---|
| abieta-8,11,13-trien-18-oic acid |
| Synonyms | Source |
|---|---|
| Dehydroabietic acid | KEGG COMPOUND |
| (-)-Dehydroabietic acid | KEGG COMPOUND |
| 13-Isopropylpodocarpa-8,11,13-trien-15-oic acid | KEGG COMPOUND |
| Abieta-8,11,13-trien-18-oic acid | KEGG COMPOUND |
| Dehydroabietate | KEGG COMPOUND |
| 1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| C12078 | KEGG COMPOUND |
| LMPR0104050005 | LIPID MAPS |
| CPD-8725 | MetaCyc |
| Citations |
|---|