dehydroabietic acid (CHEBI:29571)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	dehydroabietic acid

ChEBI ID	CHEBI:29571

Definition	An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C20H28O2

Net Charge

Average Mass

300.43510

Monoisotopic Mass

300.20893

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

SMILES

[H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)C(O)=O)C(C)C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	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	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	dehydroabietate (CHEBI:58621) is conjugate base of dehydroabietic acid (CHEBI:29571)

IUPAC Name

abieta-8,11,13-trien-18-oic acid

Synonyms	Sources
(-)-Dehydroabietic acid	KEGG COMPOUND
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

Last Modified

23 October 2015