| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:45 UTC |
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| Update Date | 2025-03-25 01:01:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246556 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H16N2O4S |
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| Molecular Mass | 236.0831 |
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| SMILES | CCC(O)C(NC(=O)C(N)CS)C(=O)O |
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| InChI Key | YDRKFHODQIBAPX-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidalpha-amino acid or derivativesorganosulfur compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidn-acyl-alpha amino acid or derivativesalcoholmethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidhydroxy acidcarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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