| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:58 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217442 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO4S2 |
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| Molecular Mass | 251.0286 |
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| SMILES | O=C(O)CN=C(O)CCC1SCC(O)S1 |
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| InChI Key | FSWOTGNPRKVVCE-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 heteromonocyclic compounds |
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| Alternative Parents | 1,3-dithiolanescarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethersdithioacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic aciddialkylthioetherorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compounddithiolanethioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativethioacetalorganic nitrogen compound1,3-dithiolaneorganoheterocyclic compoundorganooxygen compound |
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