| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:32 UTC |
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| Update Date | 2025-03-25 00:54:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204770 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H11O8P |
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| Molecular Mass | 242.0192 |
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| SMILES | O=CC(C(=O)CO)C(O)COP(=O)(O)O |
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| InChI Key | WDSJBNNDHHSJAI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | monoalkyl phosphates |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha-hydroxy ketonesbeta ketoaldehydesbeta-hydroxy aldehydesbeta-hydroxy ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupbeta-ketoaldehydealdehydealpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundmonoalkyl phosphatesecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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