| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:24 UTC |
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| Update Date | 2025-03-25 01:01:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250308 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9NO4S |
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| Molecular Mass | 179.0252 |
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| SMILES | O=C(O)CNCCSC(=O)O |
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| InChI Key | FNRKUCHRQIHSOF-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 | amino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganic thiocarbonic acid derivativesorganopnictogen compoundssulfenyl compoundsthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidthiocarbonic acid derivativeorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonesecondary aliphatic aminecarbonic acid derivativesulfenyl compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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