| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:29 UTC |
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| Update Date | 2025-03-21 18:40:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130584 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C10H20N2O3S |
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| Molecular Mass | 248.1195 |
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| SMILES | CSCCC(=O)NC(CCCCN)C(=O)O |
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| InChI Key | LTIRDADQRHKBGZ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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