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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: | 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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| 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 |
|---|---|
| 1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid | NIST Chemistry WebBook |
| 13-Isopropylpodocarpa-8,11,13-trien-15-oic acid | KEGG COMPOUND |
| Abieta-8,11,13-trien-18-oic acid | KEGG COMPOUND |
| Dehydroabietate | KEGG COMPOUND |
| (-)-Dehydroabietic acid | KEGG COMPOUND |
| Dehydroabietic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C12078 | KEGG COMPOUND |
| CPD-8725 | MetaCyc |
| LMPR0104050005 | LIPID MAPS |
| Citations |
|---|