Showing entry for Hydroxyphytanic acid (alpha-)
Identification
- PhytoHub ID
- PHUB000926
- Name
- Hydroxyphytanic acid (alpha-)
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 328.537
- Monoisotopic Mass
- 328.297745148
- Chemical Formula
- C20H40O3
- IUPAC Name
- (7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid
- InChI Key
- CGKMKXBKVBXUGK-YYZRRKBYSA-N
- InChI Identifier
InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)/t16-,17-,18?,19?/m1/s1
- SMILES
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C(O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 7.90e-04 g/l
- LogS (ALOGPS)
- -5.62
- LogP (ALOGPS)
- 6.31
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 14
- Polar Surface Area
- 57.53
- Refractivity
- 96.69319999999998
- Polarizability
- 41.57824369804809
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.8960027870429252
- pKa (strongest acidic)
- 4.370703115872592
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 | Hydroxyphytanic acid (alpha-) | human | Not Available | C20H40O3 | 328.297745148 | Publications |