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CHEBI:28987 - abietic acid

ChEBI IDCHEBI:28987
ChEBI Nameabietic acid
Stars
DefinitionAn abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18.
Secondary ChEBI IDsCHEBI:2363, CHEBI:22143
Last Modified26 May 2015
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@@]12CC=C3C=C(C(C)C)CC[C@]3([H])[C@@]1(C)CCC[C@@]2(C)C(=O)O
InChIInChI=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
InChIKeyRSWGJHLUYNHPMX-ONCXSQPRSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
13-isopropylpodocarpa-7,13-dien-15-oic acidChemIDplus
sylvic acidChemIDplus
(1R,4aR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,10,10a-decahydrophenanthrene-1-carboxylic acidChEBI
Abietic acidKEGG COMPOUND
7,13-abietadien-18-oic acidChemIDplus
Manual XrefsDatabases
C06087KEGG COMPOUND
LMPR0104050001LIPID MAPS
C00000871KNApSAcK
Abietic_acidWikipedia
Registry NumbersSources
Gmelin:114879Gmelin
Reaxys:2221451Reaxys
CAS:514-10-3KEGG COMPOUND
CAS:514-10-3ChemIDplus
Citations