Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110193 |
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Identification |
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Name: |
D-erythro-imidazole-glycerol-phosphate |
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Description: | An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate; major species at pH 7.3. |
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Structure |
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Synonyms: | -
D-erythro-1-(imidazol-4-yl)-glycerol 3-phosphate
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D-erythro-imidazole-glycerol-P
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erythro-imidazole-glycerol-P
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erythro-imidazole-glycerol-phosphate
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imidazole glycerol phosphate
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IGP
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Chemical Formula: |
C6H9N2O6P
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Average Molecular Weight: |
236.12 |
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Monoisotopic Molecular
Weight: |
238.0354726061 |
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InChI Key: |
HFYBTHCYPKEDQQ-RITPCOANSA-L |
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InChI: |
InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/p-2/t5-,6+/m1/s1 |
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CAS
number: |
36244-87-8 |
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IUPAC Name: | (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propyl phosphate |
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Traditional IUPAC Name: |
(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxyphosphonic acid |
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SMILES: | C1(NC=NC=1C(C(O)COP(=O)([O-])[O-])O) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. |
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Kingdom |
Chemical entities |
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Super Class | Organic compounds |
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Class |
Organic acids and derivatives |
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Sub Class | Organic phosphoric acids and derivatives |
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Direct Parent |
Monoalkyl phosphates |
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Alternative Parents |
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Substituents |
- Monoalkyl phosphate
- Azole
- Imidazole
- Heteroaromatic compound
- Secondary alcohol
- 1,2-diol
- Azacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic nitrogen compound
- Aromatic alcohol
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- 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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Physical Properties |
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State: |
Solid |
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Charge: | -2 |
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Melting point: |
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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Biological Properties |
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Cellular Locations: |
Not Available |
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Reactions: | |
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Pathways: |
- superpathway of histidine, purine, and pyrimidine biosynthesisPRPP-PWY
- L-histidine biosynthesisHISTSYN-PWY
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Spectra |
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Spectra: |
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References |
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References: |
Not Available |
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Synthesis Reference: |
Not Available |
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Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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External Links: |
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