| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:56 UTC |
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| Update Date | 2025-03-25 00:49:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176055 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13NO4S |
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| Molecular Mass | 207.0565 |
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| SMILES | C[SH](=O)=CCCC(O)=NCC(=O)O |
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| InChI Key | GTBQXLGDGJWKPJ-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 | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compoundss-alkylsulfenatesthioaldehyde s-oxides |
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| Substituents | aliphatic acyclic compounds-alkylsulfenatecarboximidic acidcarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesthioaldehydeorganic oxygen compoundthioaldehyde-s-oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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