tri-trans,hepta-cis-undecaprenyl diphosphate (PAMDB120033)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120033
Identification
Name: tri-trans,hepta-cis-undecaprenyl diphosphate
Description:Trianion of tri-trans,poly-cis-undecaprenyl diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • tri-trans,poly-cis-undecaprenyl diphosphate trianion
  • tritrans,heptacis-undecaprenyl diphosphate
Chemical Formula: C55H89O7P2
Average Molecular Weight: 924.251
Monoisotopic Molecular Weight: Not Available
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl diphosphate
Traditional IUPAC Name: Not Available
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])([O-])=O)([O-])=O)C)C)C)C)C)C)C
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
  • a di-\u003ci\u003etrans\u003c/i\u003e, poly-\u003ci\u003ecis\u003c/i\u003e-polyisoprenyl diphosphate (UNDECAPRENYL-DIPHOSPHATE)
Physical Properties
State: Not Available
Charge:-3
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight924.258 g/molPubChem
XLogP3-AA17.2 PubChem
Hydrogen Bond Donor Count0 PubChem
Hydrogen Bond Acceptor Count7 PubChem
Rotatable Bond Count34 PubChem
Exact Mass923.608 g/molPubChem
Monoisotopic Mass923.608 g/molPubChem
Topological Polar Surface Area122 A^2PubChem
Heavy Atom Count64 PubChem
Formal Charge-3 PubChem
Complexity1780 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count10 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    • Hemmi H, Yamashita S, Shimoyama T, Nakayama T, Nishino T (2001)Cloning, expression, and characterization of cis-polyprenyl diphosphate synthase from the thermoacidophilic archaeon Sulfolobus acidocaldarius. Journal of bacteriology 183, Pubmed: 11114943
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI60388
    PUBCHEM46926150