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Identification |
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YMDB ID | YMDB00030 |
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Name | Dihydrobiopterin |
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Species | Saccharomyces cerevisiae |
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Strain | Baker's yeast |
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Description | Dihydrobiopterin, also known as BH2, belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland. Dihydrobiopterin is an extremely weak basic (essentially neutral) compound (based on its pKa). Dihydrobiopterin exists in all eukaryotes, ranging from yeast to humans. |
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Structure | |
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Synonyms | - (6R)-6-(L-erythro-1,2-Dihydroxypropyl)-7,8-dihydro-6H-pterin
- (S-(R*,S*))-2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-4(1H)-Pteridinone
- 2-amino-6-((1R,2S)-1,2-dihydroxypropyl)-7,8-dihydro-4(1H)-Pteridinone
- 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-4(1H)-Pteridinone
- 6,7-Dihydrobiopterin
- 7,8-Dihydro-L-biopterin
- 7,8-Dihydrobiopterin
- BH2
- Dihydrobiopterin
- L-erythro-1-(2-amino-7,8-dihydro-4-hydroxy-6-pteridinyl)-1,2-Propanediol
- L-erythro-7,8-Dihydrobiopterin
- L-erythro-Dihydrobiopterin
- L-erythro-q-Dihydrobiopterin
- Q-BH2
- Quinoid-dihydrobiopterin
- Quinonoid dihydro-(6H)-biopterin
- Quinonoid dihydrobiopterin
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CAS number | 6779-87-9 |
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Weight | Average: 239.2312 Monoisotopic: 239.101839307 |
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InChI Key | FEMXZDUTFRTWPE-UHFFFAOYSA-N |
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InChI | InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17) |
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IUPAC Name | 2-amino-6-(1,2-dihydroxypropyl)-3,4,7,8-tetrahydropteridin-4-one |
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Traditional IUPAC Name | 7,8-dihydrobiopterin |
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Chemical Formula | C9H13N5O3 |
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SMILES | [H]OC([H])(C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N([H])C1([H])[H])C([H])(O[H])C([H])([H])[H] |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pteridines and derivatives |
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Sub Class | Pterins and derivatives |
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Direct Parent | Biopterins and derivatives |
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Alternative Parents | |
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Substituents | - Biopterin
- Secondary aliphatic/aromatic amine
- Hydroxypyrimidine
- Pyrimidine
- Heteroaromatic compound
- 1,2-diol
- Ketimine
- Secondary alcohol
- Azacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Secondary amine
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Imine
- Organic nitrogen compound
- Amine
- Alcohol
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Solid |
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Charge | 0 |
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Melting point | Not Available |
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Experimental Properties | Property | Value | Reference |
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Water Solubility | Not Available | PhysProp | LogP | Not Available | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations | Not Available |
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Organoleptic Properties | Not Available |
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SMPDB Pathways | Not Available |
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KEGG Pathways | Not Available |
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SMPDB Reactions | Not Available |
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KEGG Reactions | Not Available |
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Concentrations |
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Intracellular Concentrations | Not Available |
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Extracellular Concentrations | Not Available |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-01ox-8930000000-836b0568b603906f549d | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-0103-9108000000-2cc35139ca2f2f86d361 | JSpectraViewer | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-000i-0190000000-b23b7cc50e3b7bda01be | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-0092-3900000000-a352eac2af4690fb47f1 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-014i-9400000000-054ffe617ee964dda203 | JSpectraViewer | MoNA | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0390000000-4091667943de90fcbcad | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-1930000000-034022c1ca4ad39363fd | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9400000000-4251e4ef4f844b6962ad | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-006x-0190000000-d7c2e475a8d3f7b4994f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-022c-0890000000-00cee7b9f9a6dd10e984 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03k9-1900000000-0095b515a0b62e12a2a2 | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 2D NMR | [1H,13C] 2D NMR Spectrum | Not Available | JSpectraViewer |
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References |
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References: | - UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
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Synthesis Reference: | Gal E M. Synthesis and quantitative aspects of dihydrobiopterin control of cerebral serotonin levels. Advances in experimental medicine and biology (1981), 133 197-206. |
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External Links: | |
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