2-trans,-6-trans-farnesyl monophosphate (CHEM041925)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-27 01:45:12 UTC
Update Date2016-11-09 01:22:34 UTC
Accession NumberCHEM041925
Identification
Common Name2-trans,-6-trans-farnesyl monophosphate
ClassSmall Molecule
DescriptionAn organophosphate oxoanion that is the dianion obtained by removal of the two protons from the monophosphate group of (2E,6E)-farnesyl monophosphate. Major species at pH 7.3.
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(2E,6E)-Farnesol monophosphate(2-)ChEBI
(2E,6E)-Farnesyl phosphateChEBI
2-trans,6-trans-Farnesyl monophosphate(2-)ChEBI
(2E,6E)-Farnesol monophosphoric acid(2-)Generator
(2E,6E)-Farnesyl phosphoric acidGenerator
2-trans,6-trans-Farnesyl monophosphoric acid(2-)Generator
(2E,6E)-Farnesyl monophosphoric acid(2-)Generator
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, dihydrogen phosphate, (e,e)MetaCyc
(e,e)-Farnesyl monophosphateMetaCyc
(e,e)-Farnesyl phosphateMetaCyc
(trans, trans)-Farnesyl monophosphateMetaCyc
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, dihydrogen phosphoric acid, (e,e)Generator
2-trans,-6-trans-Farnesyl monophosphoric acidGenerator
Chemical FormulaC15H25O4P
Average Molecular Mass300.336 g/mol
Monoisotopic Mass300.150 g/mol
CAS Registry NumberNot Available
IUPAC Name(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl phosphate
Traditional Name(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl phosphate
SMILES[H]\C(CC\C(C)=C(/[H])COP([O-])([O-])=O)=C(\C)CCC=C(C)C
InChI IdentifierInChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/p-2/b14-9+,15-11+
InChI KeyALEWCKXBHSDCCT-YFVJMOTDSA-L
Chemical Taxonomy
Description belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassSesquiterpenoids
Direct ParentSesquiterpenoids
Alternative Parents
Substituents
  • Farsesane sesquiterpenoid
  • Sesquiterpenoid
  • 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 FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.26 g/LALOGPS
logP4.04ALOGPS
logP4.04ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)1.79ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area72.42 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity83.61 m³·mol⁻¹ChemAxon
Polarizability32.76 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0304088
FooDB IDFDB030363
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDCPD-12587
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID58164005
ChEBI ID88226
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=10557276
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=17425716
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=2407294