| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:42 UTC |
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| Update Date | 2025-03-21 18:30:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080710 |
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| Frequency | 36.0 |
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| Structure | |
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| Chemical Formula | C7H16N4O4S3 |
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| Molecular Mass | 316.0334 |
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| SMILES | NC(CCSSCCC(N)C(=O)O)=NS(N)(=O)=O |
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| InChI Key | CLEUCXNHBQJPFJ-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 | amidinescarbonyl compoundscarboxylic acidsdialkyldisulfideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganic sulfuric acids and derivativesorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidamidineorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic sulfuric acid or derivativessulfenyl compounddialkyldisulfidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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