| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:20 UTC |
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| Update Date | 2025-03-25 00:49:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174658 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21NO4S |
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| Molecular Mass | 275.1191 |
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| SMILES | CCCCC(O)C(=C=O)NC(CCSC)C(=O)O |
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| InChI Key | XAGRKZUBAJYVGU-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 acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acidsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundynolatethioethermethionine or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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