di-trans,octa-cis-undecaprenyl phosphate (PAMDB110807)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110807
Identification
Name: di-trans,octa-cis-undecaprenyl phosphate
Description:Not Available
Structure
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🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • ditrans,polycis-undecaprenyl phosphate
  • ditrans,octacis-undecaprenyl phosphate
Chemical Formula: C55H89O4P
Average Molecular Weight: 846.6654979195
Monoisotopic Molecular Weight: 846.6654979195
InChI Key: UFPHFKCTOZIAFY-NTDVEAECSA-L
InChI: InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/p-2/b46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP([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 monophosphates. These are polyprenyl compounds consisting of a monophosphate group substituted by a bactoprenyl moiety.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Prenol lipids
Sub ClassPolyprenols
Direct Parent Bactoprenol monophosphates
Alternative Parents
Substituents
  • Polyterpenoid
  • Bactoprenol monophosphate
  • Polyprenyl monophosphate
  • 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 phosphate (UNDECAPRENYL-P)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass845.2641ChemAxon
logP19.2033ChemAxon
H-bond acceptors4ChemAxon
H-bond donors0ChemAxon
Rotatable bonds33ChemAxon
PSA82.2300ChemAxon
RO5 violations2ChemAxon
RO3 violations5ChemAxon
Refractivity270.2925ChemAxon
Atoms149ChemAxon
Rings0ChemAxon
Heavy atoms60ChemAxon
Hydrogen atoms89ChemAxon
Heteroatoms5ChemAxon
N/O atoms4ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds10ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds10ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
di-trans,octa-cis-undecaprenyl diphosphate + Water → Hydrogen ion + di-trans,octa-cis-undecaprenyl phosphate + phosphate
UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-L-lysyl-D-alanine + di-trans,octa-cis-undecaprenyl phosphate → undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-L-lysyl- D-alanine + UMP
Uridine 5''-diphospho-{beta}-4-deoxy-4-formamido-L-arabinose + di-trans,octa-cis-undecaprenyl phosphate → 4-deoxy-4-formamido-α-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphate + UDP
UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-L-lysyl-D-alanyl-D-alanine + di-trans,octa-cis-undecaprenyl phosphate → undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-L-lysyl- D-alanyl-D-alanine + UMP
α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A + undecaprenyl phosphate-4-amino-4-deoxy-L-arabinose → 4'-α-L-Ara4N-α-Kdo-(2→4)-α-Kdo-(2→6)-[P4'-α-L-ara4N]-lipid A + di-trans,octa-cis-undecaprenyl phosphate
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
PseudoCycCPD-9646