Farnesyl pyrophosphate
Showing entry for Farnesyl pyrophosphate
Identification
- PhytoHub ID
- PHUB000944
- Name
- Farnesyl pyrophosphate
- 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]oxyphosphonic 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]OP(=O)(O[H])OP(=O)(O[H])OC\C=C(/C)CC\C=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
- 113.28999999999999
- Refractivity
- 96.73049999999999
- Polarizability
- 37.94192720134606
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- 1.7672186885241006
External Links
- ChEBI
- 17407
- PubChem
- 445713
- MetaboLights
- MTBLC17407
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Farnesol | Terpenoids | Sesquiterpenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Farnesol | Apple | Fruit, Pomes | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Farnesol | Farnesyl pyrophosphate | in vitro (rat) | Not Available | C15H28O7P2 | 382.131027238 | Publications |
Farnesyl pyrophosphate