| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:22 UTC |
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| Update Date | 2025-03-25 00:53:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197466 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O3S |
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| Molecular Mass | 274.1351 |
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| SMILES | CC=CCCCC(O)=NNC(CCSC)C(=O)O |
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| InChI Key | UFOJOTGHGSBRNW-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 | methionine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrazoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidsulfenyl compounddialkylthioetherorganosulfur compoundhydrazoneorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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