| Record Information |
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| Version | 2.0 |
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| Created at | 2024-09-10 19:35:34 UTC |
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| Updated at | 2024-09-10 19:35:34 UTC |
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| NP-MRD ID | NP0334702 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | all-trans-phytoene |
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| Description | Phytoene, also known as (all-e)-phytoene or trans-phytoene, belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Thus, phytoene is considered to be an isoprenoid lipid molecule. The all-trans-isomer of phytoene. Phytoene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Phytoene exists in all living organisms, ranging from bacteria to humans. Outside of the human body, Phytoene has been detected, but not quantified in, several different foods, such as sweet bay, jicama, highbush blueberries, butternut squash, and capers. all-trans-phytoene was first documented in 2005 (PMID: 15705230). This could make phytoene a potential biomarker for the consumption of these foods (PMID: 23144136). |
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| Structure | 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 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+ |
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| Synonyms | | Value | Source |
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| (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene | ChEBI | | 7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene | ChEBI | | (all-e)-Phytoene | HMDB | | all-trans-7,7',8,8',11,11',12,12'-Octahydro-lycopene | HMDB | | all-trans-Phytoene | HMDB | | trans-Phytoene | HMDB | | (all-e) Phytoene | HMDB | | 7,7',8,8',11,11',12,12'-Octahydro-ψ,ψ-carotene | HMDB | | 7,7’,8,8’,11,11’,12,12’-octahydro-ψ,ψ-carotene | HMDB |
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| Chemical Formula | C40H64 |
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| Average Mass | 544.9362 Da |
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| Monoisotopic Mass | 544.50080 Da |
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| IUPAC Name | (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene |
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| Traditional Name | phytoene |
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| CAS Registry Number | Not Available |
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| 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 |
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| 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+ |
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| InChI Key | YVLPJIGOMTXXLP-KEKOKYSKSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | Not Available |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Tetraterpenoids |
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| Direct Parent | Carotenes |
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| Alternative Parents | |
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| Substituents | - Carotene
- Branched unsaturated hydrocarbon
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Acyclic olefin
- Hydrocarbon
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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