Phytoene
precursor
Showing entry for Phytoene
Identification
- PhytoHub ID
- PHUB000457
- Name
- Phytoene
- Synonyms
- Phytoene (15-Z-)
- CAS Number
- Not Available
- Average Mass
- 544.952
- Monoisotopic Mass
- 544.500802061
- Chemical Formula
- C40H64
- IUPAC Name
- cis-phytoene
- InChI Key
- YVLPJIGOMTXXLP-BHLJUDRVSA-N
- InChI Identifier
InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
- SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.17e-04 g/l
- LogS (ALOGPS)
- -6.23
- LogP (ALOGPS)
- 9.60
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 20
- Polar Surface Area
- 0.0
- Refractivity
- 193.33960000000008
- Polarizability
- 74.47233693728761
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
External Links
- ChEBI
- 8191
- ChEBI
- 27787
- PubChem
- 9963391
- Chemistry Dashboard
- DTXSID10433340
- KNApSAcK
- C00000905
Taxonomy
- Family
- Terpenoids
- Class
- Carotenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Apricot | Fruit, Drupes | Publications | Show | |
| Bell pepper (Capsicum annuum, mild varieties) | Vegetables, Fruit vegetables | Publications | Show | |
| Carrot | Vegetables, Root vegetables | Publications | Show | |
| Grapefruit | Fruit, Citrus | Publications | Show | |
| Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Tomato | Vegetables, Fruit vegetables | Publications | Show | |
| Watermelon | Vegetables, Gourds | Publications | Show |
Metabolism
No metabolism information available
Phytoene