| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:10 UTC |
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| Update Date | 2025-03-25 00:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240474 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H16N2O3S2 |
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| Molecular Mass | 240.0602 |
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| SMILES | NC(CCSC(N)C(O)CS)C(=O)O |
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| InChI Key | JHVXKKDMGZZKIV-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 | alkylthiolscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acidsthiohemiaminal derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioethermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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