| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:08 UTC |
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| Update Date | 2025-03-21 18:28:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074469 |
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| Frequency | 39.8 |
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| Structure | |
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| Chemical Formula | C8H17N3O4S2 |
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| Molecular Mass | 283.066 |
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| SMILES | NC(CSSCC(N)C(=O)NCCO)C(=O)O |
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| InChI Key | NBRVYRGRWOIOTD-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 acid amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsalkanolaminesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acylethanolaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminealcoholsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acylethanolaminesecondary carboxylic acid amidedialkyldisulfidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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