| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:39 UTC |
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| Update Date | 2025-03-21 17:59:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019000 |
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| Frequency | 216.9 |
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| Structure | |
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| Chemical Formula | C7H13NO2S2 |
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| Molecular Mass | 207.0388 |
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| SMILES | C=CCSSCCC(N)C(=O)O |
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| InChI Key | OJPGAJXAQYJSMF-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 | allyl sulfur compoundscarbonyl compoundscarboxylic acidsdialkyldisulfidesfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundallyl sulfur compoundorganosulfur compounddialkyldisulfideorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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