| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:39 UTC |
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| Update Date | 2025-03-21 18:38:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121528 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C9H16N2O4S |
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| Molecular Mass | 248.0831 |
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| SMILES | CSCCC(N)C(=O)NC(C(C)=O)C(=O)O |
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| InChI Key | ZNYFJXNFWXKBHU-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acid amidesalpha amino acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesmethionine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain keto acids and derivativessulfenyl compounds |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideshort-chain keto acidalpha-amino acid or derivativesorganosulfur compoundbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidmethionine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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