Phytenic acid (cis-delta 2-)
Showing entry for Phytenic acid (cis-delta 2-)
Identification
- PhytoHub ID
- PHUB000922
- Name
- Phytenic acid (cis-delta 2-)
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 310.522
- Monoisotopic Mass
- 310.287180464
- Chemical Formula
- C20H38O2
- IUPAC Name
- (2Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
- InChI Key
- WDWBNNBRPVEEOD-UMSXXIAASA-N
- InChI Identifier
InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15-/t17-,18-/m1/s1
- SMILES
[H]\C(C(O)=O)=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.22e-04 g/l
- LogS (ALOGPS)
- -6.41
- LogP (ALOGPS)
- 7.12
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 13
- Polar Surface Area
- 37.3
- Refractivity
- 96.10469999999998
- Polarizability
- 40.056311024585
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- 5.1178097666751565
External Links
- PubChem
- 52929818
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Phytol | Terpenoids | Diterpenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Phytol | Asparagus | Vegetables, Other vegetables | Publications | Show | |
| Phytol | Broad bean | Pulses and beans | Publications | Show | |
| Phytol | Lettuce | Vegetables, Leaf vegetables | Publications | Show | |
| Phytol | Olive oil | Fats and oils | Publications | Show | |
| Phytol | Rapeseed oil | Fats and oils | Publications | Show | |
| Phytol | Tea | Teas and herbal teas | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | |||
|---|---|---|---|---|---|---|
| Phytol | Phytenic acid (cis-delta 2-) | human rat | Not Available | Publications |
Phytenic acid (cis-delta 2-)