| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:29 UTC |
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| Update Date | 2025-03-25 00:51:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186441 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO5S |
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| Molecular Mass | 235.0514 |
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| SMILES | NC(SCCCCC(=O)C(=O)O)C(=O)O |
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| InChI Key | VBBKECXHKKMRJZ-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 | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthiohemiaminal derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidhemithioaminalorganopnictogen compoundsulfenyl compounddialkylthioetherorganic oxygen compoundthioetherketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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