| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:05 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148962 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO4S |
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| Molecular Mass | 259.0878 |
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| SMILES | CCCC=C=CC(SCC(N)C(=O)O)C(=O)O |
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| InChI Key | SAWUTEYEDDRCDC-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 | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxideorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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