CHEBI:28987 - abietic acid

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ChEBI Name abietic acid
ChEBI ID CHEBI:28987
Definition An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2363, CHEBI:22143
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Formula C20H30O2
Net Charge 0
Average Mass 302.45100
Monoisotopic Mass 302.225
InChI InChI=1S/C20H30O2/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/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
InChIKey RSWGJHLUYNHPMX-ONCXSQPRSA-N
SMILES [H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing abietic acid (CHEBI:28987) has role plant metabolite (CHEBI:76924)
abietic acid (CHEBI:28987) is a abietane diterpenoid (CHEBI:36762)
abietic acid (CHEBI:28987) is a monocarboxylic acid (CHEBI:25384)
abietic acid (CHEBI:28987) is conjugate acid of abietate (CHEBI:35680)
Incoming dehydroabietic acid (CHEBI:29571) has functional parent abietic acid (CHEBI:28987)
abietate (CHEBI:35680) is conjugate base of abietic acid (CHEBI:28987)
IUPAC Name
abieta-7,13-dien-18-oic acid
Synonyms Sources
(1R,4aR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid ChEBI
13-isopropylpodocarpa-7,13-dien-15-oic acid ChemIDplus
7,13-abietadien-18-oic acid ChemIDplus
Abietic acid KEGG COMPOUND
sylvic acid ChemIDplus
Database Links Databases
Abietic_acid Wikipedia
C00000871 KNApSAcK
C06087 KEGG COMPOUND
LMPR0104050001 LIPID MAPS
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Registry Numbers Types Sources
114879 Gmelin Registry Number Gmelin
2221451 Reaxys Registry Number Reaxys
2221451 Beilstein Registry Number Beilstein
514-10-3 CAS Registry Number KEGG COMPOUND
514-10-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
25104764 PubMed citation Europe PMC
Last Modified
26 May 2015