Farnesyl pyrophosphate
Showing entry for Farnesyl pyrophosphate
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
Structure for Farnesyl pyrophosphate
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
External Links
- ChEBI
- 17407
- PubChem
- 445713
- MetaboLights
- MTBLC17407
- PeakForestCompound
- 000720
Taxonomy as Metabolite
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Farnesol | Terpenoids | Sesquiterpenoids | Not Available | Show Food Phytochemical |
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 Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Farnesol | Apple | Fruit, Pomes | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Farnesol | Farnesyl pyrophosphate | in vitro (rat) | Not Available | unknown | Not Available | Not Available | Not Available | C15H28O7P2 | 382.131027238 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|