| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:22 UTC |
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| Update Date | 2025-03-25 00:51:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190719 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO3S |
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| Molecular Mass | 203.0616 |
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| SMILES | C=C(C)C(=O)SCCC(N)C(=O)O |
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| InChI Key | PUADBYDEWDZDID-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 | branched fatty acidscarbonyl compoundscarbothioic s-esterscarboxylic acidsfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidsthioestersthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterbranched fatty acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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