| CAROTENOID INFO | |
|---|---|
| CAROTENOID NAME | Phytoene |
| STRUCTURE |  |
| OTHER NAME | |
| SYSNAME/SYNONYMS | 15-cis-7,8,11,12,7',8',11'12'-Octahydro-psi,psi-carotene |
| MOLECULAR FORMULA | C40H64 |
| MOLECULAR WEIGHT | 544.93616 |
| IUPAC NAME | (6E,10E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene OR 15-cis-7,8,11,12,7',8',11'12'-Octahydro-_,_-carotene |
| InChI | YVLPJIGOMTXXLP-BHLJUDRVSA-N |
| CANONICAL SMILES | CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C |
| ISOMERIC SMILES | CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=CC=C(CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/C)/C)/C)/C)C |
| KEGG ID | C05421 |
| PUBCHEM ID | 7785 |
| CHEBI ID | CHEBI:27787 |
| UV SPECTRA | Lambda max (nm): acetonitrile/methanol/THF (58:35:7) 278 (shoulder), 288, 298 (Takaichi,2000) ; methanol 276 (shoulder), 284, 294 (shoulder) (15-cis) (Takaichi & Shimada,1992) |
| NMR SPECTRA | 1H- and 13C-NMR in CDCl3 (Granger et al, 1993);13C-NMR in CDCl3 (Moss,1976) |
| MASS SPECTRA | |
| HPLC CHROMATOGRAM | HPLC (column; Novapak C18 (Waters) 8 X 100 mm: eluelnt; acetonitrile/methanol/THF 58:35:7: flow 2.0 ml/min) Rt=28.2 min (all-trans), 26.9 min (15-cis) (Takaichi, 2000) |
| OTHER SPECTRA | |
| REFERENCES |
1. Granger P, Maudinas B, Herber R, Villoutreix J: 1H and 13C NMR spectra of cis and trans phytoene isomers. J. Magn. Reson. 1973, 10:43-50.
2. Moss GP: Carbon-13 NMR Spectra of Carotenoids. Pure Appl. Chem. 1976, 47:97-102. 3. Takaichi S: Characterization of carotenes in a combination of a C(18) HPLC column with isocratic elution and absorption spectra with a photodiode-array detector. Photosynth. Res. 2000, 65:93-9. (PMID:16228474) 4. Takaichi S, Shimada K: [35] Characterization of carotenoids in photosynthetic bacteria. Methods Enzymol. 1992, 213:374-385. |
| CAROTENOID INFO | |
ProCarDB