| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:51 UTC |
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| Update Date | 2025-03-21 18:33:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097694 |
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| Frequency | 28.2 |
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| Structure | |
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| Chemical Formula | C8H16N2O4S |
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| Molecular Mass | 236.0831 |
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| SMILES | COC(=O)C(N)CCSCC(N)C(=O)O |
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| InChI Key | PIWPFOIGZLRQDJ-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 esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid esterdialkylthioetherfatty acid esterorganic oxygen compoundthioethercysteine or derivativescarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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