CHEBI:66961 - cannabinerolate

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ChEBI Name cannabinerolate
ChEBI ID CHEBI:66961
Definition A dihydroxybenzoate that is the conjugate base of cannabinerolic acid, obtained by deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
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Formula C22H31O4
Net Charge -1
Average Mass 359.47910
Monoisotopic Mass 359.22278
InChI InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/p-1/b16-12-
InChIKey SEEZIOZEUUMJME-VBKFSLOCSA-M
SMILES CCCCCc1cc(O)c(C\C=C(\C)CCC=C(C)C)c(O)c1C([O-])=O
ChEBI Ontology
Outgoing cannabinerolate (CHEBI:66961) has functional parent olivetolate (CHEBI:66950)
cannabinerolate (CHEBI:66961) is a dihydroxybenzoate (CHEBI:36084)
cannabinerolate (CHEBI:66961) is conjugate base of cannabinerolic acid (CHEBI:67080)
Incoming cannabinerolic acid (CHEBI:67080) is conjugate acid of cannabinerolate (CHEBI:66961)
IUPAC Name
3-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-pentylbenzoate
Synonyms Sources
cannabinerolate UniProt
cannabinerolate anion ChEBI
cannabinerolate(1−) ChEBI
Manual Xref Database
CPD-7175 MetaCyc
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Citation
Fellermeier M, Zenk MH (1998)
Prenylation of olivetolate by a hemp transferase yields cannabigerolic acid, the precursor of tetrahydrocannabinol.
FEBS letters 427, 283-285 (Source: SUBMITTER) [PubMed:9607329]
[show Abstract]
Last Modified
22 October 2012