Identification

PhytoHub ID
PHUB000944
Name
Farnesyl pyrophosphate
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
382.33
Monoisotopic Mass
382.131027238
Chemical Formula
C15H28O7P2
IUPAC Name
{[hydroxy({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy})phosphoryl]oxy}phosphonic acid
InChI Key
VWFJDQUYCIWHTN-YFVJMOTDSA-N
InChI Identifier
InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
SMILES
[H]\C(CC\C(C)=C(/[H])COP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
8.07e-02 g/l
LogS (ALOGPS)
-3.68
LogP (ALOGPS)
2.40
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
11
Polar Surface Area
113.29000000000002
Refractivity
96.73049999999998
Polarizability
37.86019185244514
Formal Charge
0
Physiological Charge
-3
pKa (strongest basic)
Not Available
pKa (strongest acidic)
1.7672186885241004
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
FarnesolTerpenoidsSesquiterpenoidsNot AvailableShow Precursor

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Sesquiterpenoids
Direct Parent Name
Sesquiterpenoids
Alternative Parent Names
["Hydrocarbon derivatives", "Isoprenoid phosphates", "Monoalkyl phosphates", "Organic oxides", "Organic pyrophosphates", "Organooxygen compounds"]
External Descriptor Annotations
["Acyclic farnesane sesquiterpenoids", "Farnesenes", "farnesyl diphosphate"]
Substituent Names
["Aliphatic acyclic compound", "Alkyl phosphate", "Farsesane sesquiterpenoid", "Hydrocarbon derivative", "Isoprenoid phosphate", "Monoalkyl phosphate", "Organic oxide", "Organic oxygen compound", "Organic phosphoric acid derivative", "Organic pyrophosphate", "Organooxygen compound", "Phosphoric acid ester", "Sesquiterpenoid"]

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

PrecursorFood SourceFood Source Group
FarnesolAppleFruit, Pomes PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Farnesol Farnesyl pyrophosphatein vitro (rat)Not AvailableunknownNot AvailableNot AvailableNot AvailableC15H28O7P2382.131027238 Publications

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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