Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:30:04 UTC
Update Date2024-04-30 19:57:53 UTC
Metabolite IDMMDBc0032987
Metabolite Identification
Common Name3-Hexaprenyl-4-hydroxybenzoic acid
Description3-Hexaprenyl-4-hydroxybenzoate is an intermediate in the ubiquinol-6 biosynthesis (eukaryotic) pathway. It is produced from 4-hydroxybenzoate by the enzyme 4-hydroxybenzoate hexaprenyltransferase. Ubiquinone (coenzyme Q) is an isoprenoid quinone that functions as an electron carrier in membranes. [Biocyc PWY3O-19]
Structure
Synonyms
ValueSource
(all-e)-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acidChEBI
all-trans-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acidChEBI
(all-e)-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoateGenerator
all-trans-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoateGenerator
3-Hexaprenyl-4-hydroxybenzoateGenerator
3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxy-benzoateHMDB
3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxy-benzoic acidHMDB
Molecular FormulaC37H54O3
Average Mass546.8229
Monoisotopic Mass546.407295594
IUPAC Name3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxybenzoic acid
Traditional Name3-hexaprenyl-4-hydroxybenzoate
CAS Registry Number65848-03-5
SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=CC=C1O)C(O)=O
InChI Identifier
InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+
InChI KeyLKMQQQABIGIHGL-LAAQXVIISA-N