| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:11 UTC |
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| Update Date | 2025-03-25 00:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240518 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H16N2O2S |
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| Molecular Mass | 204.0932 |
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| SMILES | NC(CSC1CCNCC1)C(=O)O |
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| InChI Key | IBRMPXYNJNPEJW-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidineorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compoundazacycledialkylthioethersecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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