Showing entry for Phytenic acid (trans-delta 3-)
Identification
- PhytoHub ID
- PHUB000923
- Name
- Phytenic acid (trans-delta 3-)
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 310.522
- Monoisotopic Mass
- 310.287180464
- Chemical Formula
- C20H38O2
- IUPAC Name
- (3E,7R,11R)-3,7,11,15-tetramethylhexadec-3-enoic acid
- InChI Key
- GGJDCSATCZWAPI-IWBCJCCCSA-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/h14,16-18H,6-13,15H2,1-5H3,(H,21,22)/b19-14+/t17-,18-/m1/s1
- SMILES
[H]\C(CC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(\C)CC(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.18e-04 g/l
- LogS (ALOGPS)
- -6.42
- LogP (ALOGPS)
- 7.18
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 13
- Polar Surface Area
- 37.3
- Refractivity
- 96.12799999999999
- Polarizability
- 39.77289553416141
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- 4.926738813307439
External Links
No external links
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 | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Phytol | Phytenic acid (trans-delta 3-) | human rat | Not Available | C20H38O2 | 310.287180464 | Publications |