| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:41 UTC |
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| Update Date | 2025-03-21 18:39:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126275 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C7H16N2O2S |
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| Molecular Mass | 192.0932 |
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| SMILES | CN(C)CCSCC(N)C(=O)O |
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| InChI Key | XLXDHBGRMHYTIO-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 acidsamino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundstrialkylamines |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminesulfenyl compounddialkylthioethertertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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