| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:20 UTC |
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| Update Date | 2025-03-25 00:50:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179267 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N5O4S |
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| Molecular Mass | 339.1001 |
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| SMILES | CSCCC(NC(=O)Cc1c[nH]c2[nH]c(=N)[nH]c(=O)c12)C(=O)O |
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| InChI Key | SEZBENLSXRXVQM-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 | methionine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessecondary carboxylic acid amidessulfenyl compoundsthia fatty acidsvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidpyrimidoneorganosulfur compoundpyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amidesulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherpyrrolemethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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