| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:24 UTC |
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| Update Date | 2025-03-21 18:37:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116176 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C8H14N2O3S |
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| Molecular Mass | 218.0725 |
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| SMILES | CSCCC(N)C(=C=O)NCC(=O)O |
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| InChI Key | JMJLMCWCAWKLOD-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 | amino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundynolatethioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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