| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:11 UTC |
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| Update Date | 2025-03-25 00:56:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217951 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O4S2 |
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| Molecular Mass | 264.0238 |
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| SMILES | NC(CC1=NC(C(=O)O)CCSS1)C(=O)O |
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| InChI Key | CMDUHXRAWJJDQF-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmonoalkylaminesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidethia fatty acidorganic oxygen compoundorganic disulfidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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