| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:02 UTC |
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| Update Date | 2025-03-25 01:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244850 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16N6O6S |
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| Molecular Mass | 348.0852 |
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| SMILES | CN(C)CCN1C(=O)C(OS(=O)(=O)O)Nc2[nH]c(N)nc(=O)c21 |
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| InChI Key | ADJUAKBZEUXPCW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessecondary alkylarylaminessulfuric acid monoesterstertiary carboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamamino acid or derivativespyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundalkyl sulfatetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminevinylogous amidepterinorganic sulfuric acid or derivativesazacycleheteroaromatic compoundtertiary aliphatic aminesecondary aminecarboxamide groupsecondary aliphatic/aromatic amineorganic oxygen compoundsulfate-esterhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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