| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:14 UTC |
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| Update Date | 2025-03-25 00:57:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224948 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N6O3S |
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| Molecular Mass | 298.0848 |
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| SMILES | Nc1nc2c(ncn2CCSCC(N)C(=O)O)c(=O)[nH]1 |
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| InChI Key | XPUOWCHRIFLSFX-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkylaminesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidonessulfenyl compoundsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidpyrimidoneimidazopyrimidineorganosulfur compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolevinylogous amidesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshypoxanthinehydrocarbon derivativeprimary aliphatic amineprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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