ω, mono-trans,octa-cis-decaprenyl diphosphate (PAMDB120519)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120519
Identification
Name: ω, mono-trans,octa-cis-decaprenyl diphosphate
Description:For polyisoprenols and polyisoprenyl phosphates nomenclature, see Polyisoprenoids.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • ω, mono-E,poly-Z-decaprenyl diphosphate(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-decaprenyl diphosphate
  • ω, mono-trans,poly-cis-decaprenyl diphosphate
  • ω, mono-E,octa-Z-decaprenyl diphosphate
Chemical Formula: C50H81O7P2
Average Molecular Weight: 856.133
Monoisotopic Molecular Weight: 858.5692
InChI Key: FSCYHDCTHRVSKN-DJNGBRKISA-K
InChI:InChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)/p-3/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as bactoprenol diphosphates. These are polyprenyl compounds consisting of a diphosphate group substituted by a bactoprenyl moiety.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Prenol lipids
Sub ClassPolyprenols
Direct Parent Bactoprenol diphosphates
Alternative Parents
Substituents
  • Polyterpenoid
  • Bactoprenol diphosphate
  • Polyprenyl diphosphate
  • Polyprenyl monophosphate
  • Organic pyrophosphate
  • Isoprenoid phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • an all-\u003ci\u003etrans\u003c/i\u003e-polyisoprenyl diphosphate (CPD-9610)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight856.139 g/molPubChem
XLogP3-AA15.3 PubChem
Hydrogen Bond Donor Count0 PubChem
Hydrogen Bond Acceptor Count7 PubChem
Rotatable Bond Count31 PubChem
Exact Mass855.546 g/molPubChem
Monoisotopic Mass855.546 g/molPubChem
Topological Polar Surface Area122 A^2PubChem
Heavy Atom Count59 PubChem
Formal Charge-3 PubChem
Complexity1620 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count9 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
decaprenyl-pyrophosphoryl-(N-acetylglucosamine)-N-acetylmuramyl-(pentapeptide) → Hydrogen ion + a peptidoglycan dimer (mycobacteria) + ω, mono-trans,octa-cis-decaprenyl diphosphate
a peptidoglycan dimer (mycobacteria) + Water → Hydrogen ion + a peptidoglycan with D,D cross-links (mycobacteria) + D-Alanine + ω, mono-trans,octa-cis-decaprenyl diphosphate
a peptidoglycan dimer (mycobacteria) + Water → Hydrogen ion + a peptidoglycan with L,D cross-links (mycobacteria) + ω, mono-trans,octa-cis-decaprenyl diphosphate + D-Alanine
Pathways:
  • peptidoglycan biosynthesis III (mycobacteria)PWY-6385
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PUBCHEM45479373