| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:34 UTC |
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| Update Date | 2025-03-21 18:33:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094550 |
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| Frequency | 29.4 |
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| Structure | |
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| Chemical Formula | C7H14N2O3S |
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| Molecular Mass | 206.0725 |
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| SMILES | CSCCC(N)C(=O)C(N)C(=O)O |
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| InChI Key | OHFWMZAAUCURHS-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 derivativesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethermonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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