| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:29 UTC |
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| Update Date | 2025-03-25 00:51:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186457 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14N2O5S |
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| Molecular Mass | 250.0623 |
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| SMILES | NC(O)=C(CCSCC(N)C(=O)O)C(=O)O |
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| InChI Key | WNJVBDNWFOXSEZ-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminesalpha amino acidsbranched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acidsunsaturated fatty acidsvinylogous acidsvinylogous amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganosulfur compoundunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalkanolaminevinylogous amidesulfenyl compounddialkylthioetherbranched fatty acidvinylogous acidthia fatty acidorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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