| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:30 UTC |
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| Update Date | 2025-03-21 18:37:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114001 |
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| Frequency | 23.2 |
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| Structure | |
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| Chemical Formula | C8H15NO5S |
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| Molecular Mass | 237.0671 |
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| SMILES | NC(CCSCC(CO)C(=O)O)C(=O)O |
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| InChI Key | LWLBKVSLYWDMKV-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 | beta hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganosulfur compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholalcoholsulfenyl compounddialkylthioetherhydroxy acidbranched fatty acidthia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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