| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:20 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225171 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N5O3S |
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| Molecular Mass | 297.0896 |
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| SMILES | Nc1nc(=O)c2[nH]cc(CSCCC(N)C(=O)O)c2[nH]1 |
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| InChI Key | WQQUNRHPJVZIMF-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonespyrrolespyrrolopyrimidinessulfenyl compoundsthia fatty acidsvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidpyrimidoneorganosulfur compoundpyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherpyrrolehydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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