| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:24 UTC |
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| Update Date | 2025-03-21 17:57:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009407 |
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| Frequency | 513.0 |
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| Structure | |
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| Chemical Formula | C6H12N2O4S |
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| Molecular Mass | 208.0518 |
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| SMILES | CS(=O)CCC(NC(N)=O)C(=O)O |
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| InChI Key | GCBKJFUILQZRML-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 | n-carbamoyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidn-carbamoyl-alpha-amino acidfatty acidorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxidealpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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