Record Information
Version1.0
Creation date2011-09-21 00:36:13 UTC
Update date2019-11-26 03:21:10 UTC
Primary IDFDB023878
Secondary Accession NumbersNot Available
Chemical Information
FooDB Nameall-trans-Decaprenyl diphosphate
DescriptionAll trans decaprenyl diphosphate is an intermediate in ubiquinone biosynthesis. The enzyme 4-hydroxybenzoate nonaprenyltransferase [EC:2.5.1.39] catalyzes the conversion of this metabolite into 3-decaprenyl-4-hydroxybenzoate. This reaction is irreversible and occurs in the mitochondria. [HMDB]. all-trans-Decaprenyl diphosphate is found in many foods, some of which are pomes, custard apple, common grape, and dock.
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
all trans Decaprenyl diphosphoric acidGenerator
Bis(3-methylbut-2-en-1-yl) ({bis[(3-methylbut-2-en-1-yl)oxy]phosphoryl}oxy)hexakis(3-methylbut-2-en-1-yl)phosphonic acidGenerator, HMDB
all-trans-Decaprenyl diphosphoric acidGenerator
All trans decaprenyl diphosphatehmdb
Predicted Properties
PropertyValueSource
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.29 ŲChemAxon
Rotatable Bond Count26ChemAxon
Refractivity267.02 m³·mol⁻¹ChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC50H90O7P2
IUPAC namebis(3-methylbut-2-en-1-yl) {[hexakis(3-methylbut-2-en-1-yl)bis[(3-methylbut-2-en-1-yl)oxy]phosphoroso]oxy}phosphonate
InChI IdentifierInChI=1S/C50H90O7P2/c1-41(2)21-31-53-58(51,54-32-22-42(3)4)57-59(52,35-25-45(9)10,36-26-46(11)12,37-27-47(13)14,38-28-48(15)16,39-29-49(17)18,40-30-50(19)20,55-33-23-43(5)6)56-34-24-44(7)8/h21-30H,31-40H2,1-20H3
InChI KeyUAYWNGPBKZFVAV-UHFFFAOYSA-N
Isomeric SMILES[P](OCC=C(C)C)(OCC=C(C)C)(=O)(OP(OCC=C(C)C)(OCC=C(C)C)=O)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)CC=C(C)C
Average Molecular Weight865.1929
Monoisotopic Molecular Weight864.616178258
Classification
Description Belongs to the class of organic compounds known as isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassIsoprenoid phosphates
Direct ParentIsoprenoid phosphates
Alternative Parents
Substituents
  • Isoprenoid phosphate
  • Dialkyl phosphate
  • Alkyl phosphate
  • Phosphonic acid ester
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Organophosphonic acid derivative
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organophosphorus compound
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Route of exposure:

Biological location:

Source:

Process

Naturally occurring process:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB06288
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID1787600
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference