| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:31 UTC |
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| Update Date | 2025-03-21 18:36:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109189 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C8H15N3O4S |
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| Molecular Mass | 249.0783 |
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| SMILES | N=CNC(CCSCC(N)C(=O)O)C(=O)O |
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| InChI Key | BEWPAUSLPIYCFT-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesformamidineshydrocarbon derivativesiminesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidiminefatty acidamidineorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboximidamideformamidinethia fatty acidorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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