| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:23 UTC |
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| Update Date | 2025-03-25 00:56:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218393 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N3O4S |
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| Molecular Mass | 257.047 |
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| SMILES | Cc1cn(C2NC(C(=O)O)CS2)c(=O)[nH]c1=O |
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| InChI Key | YDIMAWMQUXTHCN-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonesthiazolidinesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidonepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacycledialkylthioetherheteroaromatic compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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