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CHEBI:131857 - (3R)-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate

ChEBI IDCHEBI:131857
ChEBI Name(3R)-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate
Stars
ASCII Name(3R)-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate
DefinitionAn oxo monocarboxylic acid anion that is the a dianion resulting from the carboxy group and the β-keto-enol group of 3-farnesyl-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylic acid; major species at pH 7.3.
Last Modified7 January 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H34O4
Net Charge-2
Average Mass398.543
Monoisotopic Mass398.24681
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]1(C)C(=O)C(C)=C([O-])C(C(=O)[O-])=C1C
InChIInChI=1S/C25H36O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-25(7)20(6)21(24(28)29)22(26)19(5)23(25)27/h10,12,14,26H,8-9,11,13,15H2,1-7H3,(H,28,29)/p-2/b17-12+,18-14+/t25-/m1/s1
InChIKeyBAJLPQKQXYOBIY-MNPZXIHOSA-L
ChEBI Ontology
Outgoing Relation(s)
(3R)-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate (CHEBI:131857) is a oxo monocarboxylic acid anion (CHEBI:35902)
(3R)-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate (CHEBI:131857) is conjugate base of (3R)-farnesyl-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylic acid (CHEBI:132128)
Incoming Relation(s)
(3R)-farnesyl-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylic acid (CHEBI:132128) is conjugate acid of (3R)-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate (CHEBI:131857)
IUPAC Name 
(3R)-2,3,5-trimethyl-6-oxido-4-oxo-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-1,5-diene-1-carboxylate
UniProt Name  Source
(3R)-3-farnesyl-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylateUniProt
Citations