| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:56 UTC |
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| Update Date | 2025-03-25 00:52:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194182 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H27N4O9P |
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| Molecular Mass | 414.1516 |
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| SMILES | CN(CCCCC(N)C(=O)O)C(=N)NC1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | QBAWIVUDBXPQGT-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 acidscarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativeshydroxy fatty acidsiminesmedium-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 phosphateguanidineiminepentose-5-phosphatefatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compound1,2-diolalcoholtetrahydrofurancarboximidamideoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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