| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:08 UTC |
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| Update Date | 2025-03-25 00:46:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158301 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H18N2O6S3 |
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| Molecular Mass | 358.0327 |
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| SMILES | O=C(O)CNC(CSC(=S)NCCCC[SH](=O)=O)C(=O)O |
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| InChI Key | JVKCSQIJFJRQOE-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesdithiocarbamic acid estershydrocarbon derivativesorganic oxidesorganopnictogen compoundss-alkylsulfenatessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic amines-alkylsulfenatesulfenyl compoundsecondary aminedithiocarbamic acid esterorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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