Showing metabocard for All trans decaprenyl diphosphate (BMDB0006288)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:21:16 UTC
Update Date2020-04-22 15:17:12 UTC
BMDB IDBMDB0006288
Secondary Accession Numbers
  • BMDB06288
Metabolite Identification
Common NameAll trans decaprenyl diphosphate
DescriptionAll trans decaprenyl diphosphate 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. Based on a literature review very few articles have been published on All trans decaprenyl diphosphate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
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
Chemical FormulaC50H90O7P2
Average Molecular Weight865.1929
Monoisotopic Molecular Weight864.616178258
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
Traditional Namebis(3-methylbut-2-en-1-yl) [hexakis(3-methylbut-2-en-1-yl)bis(3-methylbut-2-en-1-yl)oxyphosphoroso]oxyphosphonate
CAS Registry NumberNot Available
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
InChI Identifier
InChI=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
Chemical Taxonomy
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
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
  • Cytoplasm
  • Mitochondria
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular Locations
  • Cell membrane
  • Cytoplasm
  • Mitochondria
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0006288
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023878
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG ID1787600
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available