| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:27 UTC |
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| Update Date | 2025-03-25 00:52:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195352 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO5S |
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| Molecular Mass | 303.114 |
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| SMILES | CC1=CCCC(O)(CCC(=O)O)C1SCC(N)C(=O)O |
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| InChI Key | XPVRFXALMFKTBR-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundtertiary alcoholorganic oxideorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino acidaliphatic homomonocyclic compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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