| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:30 UTC |
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| Update Date | 2025-03-25 00:45:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152294 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H27NO4S |
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| Molecular Mass | 317.1661 |
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| SMILES | NC(CSC1CCCC1CCCCCCC(=O)O)C(=O)O |
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| InChI Key | BZEDQEFYPNISDI-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 acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsulfenyl compounddialkylthioetherorganic oxygen compoundthioethercysteine or derivativesaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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