| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:40 UTC |
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| Update Date | 2025-03-25 00:56:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216747 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19NO5S |
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| Molecular Mass | 277.0984 |
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| SMILES | CCC(O)CCC=C(SCC(N)C(=O)O)C(=O)O |
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| InChI Key | CXNXMHOQRRRJSD-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundsthioenol ethersunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundmedium-chain hydroxy acidunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsulfenyl compoundthioenoletherorganic oxygen compoundcysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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