| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:23 UTC |
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| Update Date | 2025-03-21 18:35:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103953 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C7H13NO5S |
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| Molecular Mass | 223.0514 |
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| SMILES | CSCCC(NC(O)C(=O)O)C(=O)O |
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| InChI Key | PYXQCCYCKPNXMC-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 | methionine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminesalpha amino acidsalpha hydroxy acids and derivativesamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidalpha-hydroxy acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalkanolaminesecondary aliphatic aminesulfenyl compounddialkylthioetherhydroxy acidsecondary aminethia fatty acidorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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