| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:16 UTC |
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| Update Date | 2025-03-25 00:47:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165378 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O5S |
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| Molecular Mass | 264.078 |
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| SMILES | CCC(=O)NC(SCCC(N)C(=O)O)C(=O)O |
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| InChI Key | GJONJIZJSFIOHO-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 acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn,s-acetalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundn,s-acetalorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundsulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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