| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:26 UTC |
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| Update Date | 2025-03-25 00:57:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227546 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO4S |
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| Molecular Mass | 219.0565 |
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| SMILES | CC(=O)CSCCC(=O)C(N)C(=O)O |
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| InChI Key | IFLGPQVAQPVTTQ-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 | 1,3-dicarbonyl compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain keto acids and derivativessulfenyl compounds |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethermonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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