| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:06 UTC |
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| Update Date | 2025-03-21 17:58:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015614 |
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| Frequency | 277.4 |
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| Structure | |
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| Chemical Formula | C12H25N2O10P |
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| Molecular Mass | 388.1247 |
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| SMILES | NC(CCCCNCC1(O)OC(COP(=O)(O)O)C(O)C1O)C(=O)O |
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| InChI Key | QKPGRYZKHZVFCH-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 | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidpentose phosphateamino acid or derivativesamino acidpentose-5-phosphatefatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compound1,2-diolalcoholsecondary aliphatic aminetetrahydrofuransecondary amineoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
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