| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:25 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223147 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25N6O8P |
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| Molecular Mass | 460.1471 |
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| SMILES | NC(CCCCNc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1)C(=O)O |
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| InChI Key | XQIKLJHEECCOFR-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidazolesimidolactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidpentose phosphateamino acid or derivativesamino acidfatty acidalpha-amino acid or derivativesimidazopyrimidinecarboxylic acid derivativemedium-chain hydroxy acidpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic aminepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
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