| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:23 UTC |
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| Update Date | 2025-03-25 01:01:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248013 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N5O6S |
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| Molecular Mass | 359.09 |
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| SMILES | CC(=O)NC(CSCC(=O)Nc1c(N)[nH]c(=O)n(C)c1=O)C(=O)O |
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| InChI Key | NUKBFQYKBOPBGI-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-arylamidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessecondary carboxylic acid amidessulfenyl compoundsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidonen-arylamideorganosulfur compoundpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamidevinylogous amidecarbonic acid derivativesulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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