| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:52 UTC |
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| Update Date | 2025-03-25 00:54:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207809 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N7O2S |
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| Molecular Mass | 309.1008 |
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| SMILES | Nc1ncnc2nc(SCCCC(N)C(=O)O)nc(N)c12 |
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| InChI Key | UUTDZWOQMHQASC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidalkylarylthioetherorganosulfur compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundsulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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