| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:19 UTC |
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| Update Date | 2025-03-25 01:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247832 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H25NO4S |
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| Molecular Mass | 303.1504 |
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| SMILES | NC(CCCC1CCSC1CCCCC(=O)O)C(=O)O |
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| InChI Key | KLGGNCNDBSTIAJ-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiolanes |
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| Substituents | thiolanefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty aciddialkylthioetherfatty acidorganic oxideorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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