| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:49 UTC |
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| Update Date | 2025-03-25 00:54:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205394 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13N3O5S |
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| Molecular Mass | 251.0576 |
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| SMILES | NC(N)=NCCS(=O)(=O)CCC(=O)C(=O)O |
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| InChI Key | IUSPGFUPDPCQIY-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 | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboximidamidescarboxylic acidsfatty acylsguanidineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfonesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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