| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:59 UTC |
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| Update Date | 2025-03-21 18:33:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095568 |
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| Frequency | 29.0 |
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| Structure | |
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| Chemical Formula | C9H17NO5S |
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| Molecular Mass | 251.0827 |
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| SMILES | CSCCC(NC(C(=O)O)C(C)O)C(=O)O |
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| InChI Key | GBYDPFUCNYXCIW-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 acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidfatty acidorganosulfur compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsecondary aliphatic aminesulfenyl compounddialkylthioetherhydroxy acidsecondary aminethia fatty acidorganic oxygen compoundthioethermethionine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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