Record Information |
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Version | 1.0 |
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Created at | 2020-04-17 19:27:45 UTC |
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Updated at | 2020-12-07 19:11:53 UTC |
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CannabisDB ID | CDB005284 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | Pyridoxine 5'-phosphate |
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Description | Pyridoxine 5'-phosphate, also known as pyridoxine-5P or pyridoxine phosphoric acid, belongs to the class of organic compounds known as pyridoxine-5'-phosphates. These are pyridoxines that carry a phosphate group at the 5-position. Pyridoxine 5'-phosphate is a very strong basic compound (based on its pKa). Pyridoxine 5'-phosphate exists in all living species, ranging from bacteria to humans. Within humans, pyridoxine 5'-phosphate participates in a number of enzymatic reactions. In particular, pyridoxine 5'-phosphate can be biosynthesized from pyridoxine through its interaction with the enzyme pyridoxal kinase. In addition, pyridoxine 5'-phosphate can be converted into pyridoxal 5'-phosphate through its interaction with the enzyme pyridoxine-5'-phosphate oxidase. In humans, pyridoxine 5'-phosphate is involved in vitamin B6 metabolism. Outside of the human body, Pyridoxine 5'-phosphate has been detected, but not quantified in, several different foods, such as welsh onions, sweet marjorams, mango, kales, and oil-seed camellia. This could make pyridoxine 5'-phosphate a potential biomarker for the consumption of these foods. Pyridoxine 5'-phosphate is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
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Structure | |
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Synonyms | Value | Source |
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Pyridoxine 5'-(dihydrogen phosphate) | ChEBI | Pyridoxine 5-phosphate | ChEBI | Pyridoxine phosphate | ChEBI | PYRIDOXINE-5'-phosphATE | ChEBI | Pyridoxol 5'-phosphate | ChEBI | Pyridoxol 5-phosphate | ChEBI | Pyridoxyl-5-phosphate | ChEBI | Pyridoxine 5'-(dihydrogen phosphoric acid) | Generator | Pyridoxine 5-phosphoric acid | Generator | Pyridoxine phosphoric acid | Generator | PYRIDOXINE-5'-phosphoric acid | Generator | Pyridoxol 5'-phosphoric acid | Generator | Pyridoxol 5-phosphoric acid | Generator | Pyridoxyl-5-phosphoric acid | Generator | Pyridoxine 5'-phosphoric acid | Generator | 5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate | HMDB | 5-Hydroxy-6-methyl-3,4-pyridinedimethanol alpha( 3)-(dihydrogen phosphate) | HMDB | Pyridoxine-5P | HMDB | Pyridoxine-p | HMDB | Pyridoxine-phosphate | HMDB | Pyridoxine 5-phosphate hydrochloride | HMDB | 5-Phosphopyridoxine | HMDB |
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Chemical Formula | C8H12NO6P |
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Average Molecular Weight | 249.16 |
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Monoisotopic Molecular Weight | 249.0402 |
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IUPAC Name | {[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}phosphonic acid |
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Traditional Name | pyridoxine-5'-phosphate |
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CAS Registry Number | 447-05-2 |
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SMILES | CC1=NC=C(COP(O)(O)=O)C(CO)=C1O |
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InChI Identifier | InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14) |
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InChI Key | WHOMFKWHIQZTHY-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as pyridoxine-5'-phosphates. These are pyridoxines that carry a phosphate group at the 5-position. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyridines and derivatives |
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Sub Class | Pyridoxines |
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Direct Parent | Pyridoxine-5'-phosphates |
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Alternative Parents | |
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Substituents | - Pyridoxine-5'-phosphate
- Monoalkyl phosphate
- Hydroxypyridine
- Methylpyridine
- Organic phosphoric acid derivative
- Alkyl phosphate
- Phosphoric acid ester
- Heteroaromatic compound
- Azacycle
- Hydrocarbon derivative
- Alcohol
- Aromatic alcohol
- Organic nitrogen compound
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Health effect: |
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Disposition | Source: Biological location: |
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Role | Industrial application: |
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Physical Properties |
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State | Solid |
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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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Spectra |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Pyridoxine 5'-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-9530000000-1e967afad92165e82bee | Spectrum | Predicted GC-MS | Pyridoxine 5'-phosphate, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-9226000000-49f5293644ca681d401b | Spectrum | Predicted GC-MS | Pyridoxine 5'-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Pyridoxine 5'-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0ue9-0590000000-68640055ed308d852fd0 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f89-0900000000-1450b9f084acf6421d59 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-4900000000-8fd6492e6f2a6bea9879 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-8090000000-65f73f2c7a460a3fca23 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9010000000-5b0859a6a40a458fcc9f | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-a6fead236e12d88986b8 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0290000000-da88c1789911b79c0362 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0ff0-0910000000-366dc9237952c888f4b8 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-2900000000-cd37cb30cd544c5f866a | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-002b-9010000000-64a9d47104102ec4486f | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-ef724d5177083af378f0 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-a5e502a2627af2048a1f | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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Pathways |
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Pathways | Name | SMPDB/Pathwhiz | KEGG | Vitamin B6 Metabolism | | | Hypophosphatasia | | Not Available |
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Protein Targets |
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Enzymes | |
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Transporters | Not Available |
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Metal Bindings | |
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Receptors | Not Available |
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Transcriptional Factors | Not Available |
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Concentrations Data |
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External Links |
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HMDB ID | HMDB0001319 |
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DrugBank ID | DB02209 |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | FDB031140 |
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KNApSAcK ID | C00007505 |
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Chemspider ID | 1026 |
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KEGG Compound ID | C00627 |
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BioCyc ID | PYRIDOXINE-5P |
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BiGG ID | 35527 |
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Wikipedia Link | Not Available |
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METLIN ID | 6156 |
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PubChem Compound | 1055 |
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PDB ID | Not Available |
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ChEBI ID | 28803 |
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References |
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General References | Not Available |
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