| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:09 UTC |
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| Update Date | 2025-03-21 17:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022362 |
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| Frequency | 177.5 |
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| Structure | |
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| Chemical Formula | C10H19NO4S |
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| Molecular Mass | 249.1035 |
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| SMILES | CSCCC(NC(C(=O)O)C(C)C)C(=O)O |
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| InChI Key | PUIQENVSCPBTME-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 acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acidsvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminemethyl-branched fatty acidsulfenyl compounddialkylthioethervaline or derivativessecondary aminebranched fatty acidthia fatty acidorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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