| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:24 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252579 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H15NO11P2 |
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| Molecular Mass | 351.012 |
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| SMILES | NC(CCC(O)C(=O)COP(=O)(O)OP(=O)(O)O)C(=O)O |
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| InChI Key | UBFHVFAWPIRTMR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha amino acidsalpha-hydroxy ketonescarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidefatty acidalpha-amino acid or derivativesalpha-hydroxy ketonecarboxylic acid derivativemedium-chain hydroxy acidketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholorganic pyrophosphatemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphateacyloinsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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