Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2006-05-22 15:12:16 UTC |
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Update Date | 2022-03-07 02:49:17 UTC |
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HMDB ID | HMDB0002871 |
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Secondary Accession Numbers | - HMDB0002936
- HMDB02871
- HMDB02936
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Metabolite Identification |
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Common Name | Phytofluene |
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Description | Phytofluene, also known as (15Z)-phytofluene, 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. Based on a literature review a small amount of articles have been published on Phytofluene. |
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Structure | CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C InChI=1S/C40H62/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/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ |
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Synonyms | Value | Source |
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(12E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene | ChEBI | (15Z)-Phytofluene | HMDB | 15-cis-7,7',8,8',11,12-Hexahydro-psi,psi-carotene | HMDB | 15-cis-7,7',8,8',11,12-Hexahydro-ψ,ψ-carotene | HMDB | 15-cis-7,7’,8,8’,11,12-hexahydro-ψ,ψ-carotene | HMDB | 15-cis-Phytofluene | HMDB | 7,7',8,8',11,12-Hexahydro-psi,psi-carotene | HMDB | 7,7',8,8',11,12-Hexahydro-ψ,ψ-carotene | HMDB | 7,7',8,8',11,12-Hexahydrolycopene | HMDB | 7,7’,8,8’,11,12-hexahydro-ψ,ψ-carotene | HMDB | 7,7’,8,8’,11,12-hexahydrolycopene | HMDB | cis-Phytofluene | HMDB | Phytofluene | ChEBI |
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Chemical Formula | C40H62 |
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Average Molecular Weight | 542.9203 |
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Monoisotopic Molecular Weight | 542.485151984 |
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IUPAC Name | (6E,10E,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene |
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Traditional Name | phytofluene |
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CAS Registry Number | 27664-65-9 |
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SMILES | CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C |
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InChI Identifier | InChI=1S/C40H62/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/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ |
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InChI Key | OVSVTCFNLSGAMM-DGFSHVNOSA-N |
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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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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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