| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:01 UTC |
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| Update Date | 2025-03-25 00:59:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240129 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H32N2O3S2 |
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| Molecular Mass | 388.1854 |
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| SMILES | NC(CCCCNC(=O)CCCCC1SCC2SCCCC12)C(=O)O |
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| InChI Key | GZSMCEJHYZYQIL-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 heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthianesthiolanes |
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| Substituents | thiolanefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty amidefatty acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundthianedialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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