| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:32 UTC |
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| Update Date | 2025-03-21 18:40:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130734 |
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| Frequency | 19.4 |
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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 | NC(CCSCC(=O)CCCCC(=O)O)C(=O)O |
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| InChI Key | JWWHYOUCDMFZCR-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesketonesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsulfenyl compounddialkylthioetherthia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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