4-deoxy-4-formamido-α-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphate (PAMDB120098)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120098
Identification
Name: 4-deoxy-4-formamido-α-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphate
Description:A polyprenyl glycosyl phosphate consisting of 4-deoxy-4-formamido-α-L-arabinopyranose attached at the 1-position to di-trans,poly-cis-undecaprenyl phosphate.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • Undecaprenyl phosphate-L-Ara
  • 4-Formyl-Nundecaprenyl phosphate-α-L-Ara
  • 4FN4-deoxy-4-formamido-α-L-arabinopyranosyl undecaprenyl phosphate
Chemical Formula: C61H99NO8P
Average Molecular Weight: 1005.429
Monoisotopic Molecular Weight: 1005.7186
InChI Key: UTIDDUCMNSLEAB-AGTWPIEZSA-M
InChI:InChI=1S/C61H100NO8P/c1-13-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-69-71(66,67)70-61-60(65)59(64)58(45-68-61)62-46-63/h13,25,27,29,31,33,35,37,39,41,43,46,58-61,64-65H,14-24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,62,63)(H,66,67)/p-1/b47-13-,48-25-,49-27-,50-29-,51-31-,52-33-,53-35-,54-37-,55-39+,56-41+,57-43+/t58-,59-,60+,61-/m0/s1
CAS number: Not Available
IUPAC Name:4-deoxy-4-formamido-1-O-(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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]oxy}phosphoryl)-α-L-arabinopyranose
Traditional IUPAC Name: Not Available
SMILES:CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(COP([O-])(=O)OC1(OCC(NC=O)C(O)C(O)1))C)C)C)C)C)C)C)C
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as polyterpenoids. These are terpenoids consisting of more than eight isoprene units.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Prenol lipids
Sub ClassPolyterpenoids
Direct Parent Polyterpenoids
Alternative Parents
Substituents
  • Polyterpenoid
  • Polyprenyl phosphate skeleton
  • Dialkyl phosphate
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Alkyl phosphate
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • 1,2-diol
  • Oxacycle
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • a small molecule (CPD0-888)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight1005.436 g/molPubChem
XLogP3-AA16.9 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count8 PubChem
Rotatable Bond Count36 PubChem
Exact Mass1004.711 g/molPubChem
Monoisotopic Mass1004.711 g/molPubChem
Topological Polar Surface Area137 A^2PubChem
Heavy Atom Count71 PubChem
Formal Charge-1 PubChem
Complexity1950 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count4 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count11 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
4-deoxy-4-formamido-α-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphate + Water → undecaprenyl phosphate-4-amino-4-deoxy-L-arabinose + formate
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
Pathways:
Spectra
Spectra: Not Available
References
References:
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI53028
PUBCHEM52940111
LIGAND-CPDC16156