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Human Metabolome Database Version 2.5
Showing metabocard for Prephytoene diphosphate (HMDB03023)
Legend: enzyme field
| Version | 2.5 | ||||||||||||||||||
| Creation Date | 2006-05-22 16:12:27 | ||||||||||||||||||
| Update Date | 2010-05-07 09:22:54 | ||||||||||||||||||
| Accession Number | HMDB03023 | ||||||||||||||||||
| Secondary Accession Numbers | Not Available | ||||||||||||||||||
| Common Name | Prephytoene diphosphate | ||||||||||||||||||
| Description | Phytoene is a precursor to carotenoids. Prephytoene comes from geranyl geranyl diphosphate (GGPP). Carotenoids are essential for life. Prephytoene diphosphate is involved in the following two reactions: 1) Prephytoene diphosphate + H+ + NADPH <=> Pyrophosphate + cis-Phytoene + NADP+ and 2) Geranylgeranyl diphosphate <=> Pyrophosphate + Prephytoene diphosphate + H+ | ||||||||||||||||||
| Synonyms |
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| Chemical IUPAC Name | 15-cis-7,7',8,8',11,11',12,12'-octahydro-psi.psi-Carotene | ||||||||||||||||||
| Chemical Formula | C40H68O7P2 | ||||||||||||||||||
| Chemical Structure |  |
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| Chemical Taxonomy |
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| Average Molecular Weight | 722.911 | ||||||||||||||||||
| Monoisotopic Molecular Weight | 722.444031 | ||||||||||||||||||
| Isomeric SMILES | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=C[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)[C@]1(C)CCC=C(/C)CCC=C(/C)CCC=C(C)C | ||||||||||||||||||
| Canonical SMILES | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC1C(COP(O)(=O)OP(O)(O)=O)C1(C)CCC=C(C)CCC=C(C)CCC=C(C)C | ||||||||||||||||||
| KEGG Compound ID | C03427  |
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| BioCyc ID | PHYTOENE |
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| BiGG ID | Not Available | ||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||
| NuGOwiki Link | HMDB03023 |
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| Metagene Link | HMDB03023 |
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| METLIN ID | 3592 |
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| PubChem Compound | 5280591 |
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| PubChem Substance | 10352868 |
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| ChEBI ID | 14885 |
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| CAS Registry Number | Not Available | ||||||||||||||||||
| InChI Identifier | InChI=1/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40-/m1/s1 | ||||||||||||||||||
| Synthesis Reference | Gregonis, Donald E.; Rilling, Hans C. Stereochemistry of trans-phytoene synthesis. Lycopersene as a carotene precursor and a mechanism for the synthesis of cis- and trans-phytoene. Biochemistry (1974), 13(7), 1538-42. | ||||||||||||||||||
| Melting Point (Experimental) | Not Available | ||||||||||||||||||
| Experimental Water Solubility | Not Available Source: PhysProp | ||||||||||||||||||
| Predicted Water Solubility | 5.02e-04 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS | ||||||||||||||||||
| Physiological Charge | -3 | ||||||||||||||||||
| State | Solid | ||||||||||||||||||
| Experimental LogP/Hydrophobicity | Not Available Source: PhysProp | ||||||||||||||||||
| Predicted LogP/Hydrophobicity | 7.02 [Predicted by ALOGPS]; 10.534 [Predicted by PubChem via XLOGP] Calculated using ALOGPS | ||||||||||||||||||
| Material Safety Data Sheet (MSDS) | Not Available | ||||||||||||||||||
| MOL File | Show |
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| SDF File | Show |
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| PDB File | Show |
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| 2D Structure | |||||||||||||||||||
| 3D Structure | |||||||||||||||||||
| Experimental PDB ID | Not Available | ||||||||||||||||||
| Experimental 1H NMR Spectrum | Not Available | ||||||||||||||||||
| Experimental 13C NMR Spectrum | Not Available | ||||||||||||||||||
| Experimental 13C HSQC Spectrum | Not Available | ||||||||||||||||||
| Predicted 1H NMR Spectrum |
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| Predicted 13C NMR Spectrum |
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| Mass Spectrum | Not Available | ||||||||||||||||||
| Simplified TOCSY Spectrum | Not Available | ||||||||||||||||||
| BMRB Spectrum | Not Available | ||||||||||||||||||
| Cellular Location |
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| Biofluid Location | Not Available | ||||||||||||||||||
| Tissue Location | Not Available | ||||||||||||||||||
| Concentrations (Normal) | Not Available | ||||||||||||||||||
| Concentrations (Abnormal) | Not Available | ||||||||||||||||||
| Associated Disorders | Not Available | ||||||||||||||||||
| OMIM ID | Not Available | ||||||||||||||||||
| Pathways | Not Available | ||||||||||||||||||
| General References |
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