| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:06 UTC |
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| Update Date | 2025-03-25 00:49:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174138 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H35NO2S2 |
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| Molecular Mass | 361.2109 |
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| SMILES | CCCCCCCCCC1CCSC1CSCCC(N)C(=O)O |
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| InChI Key | SDSQLSHXBCGTDZ-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 acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidsthiolanes |
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| Substituents | thiolanefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compounddialkylthioethermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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