| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:33 UTC |
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| Update Date | 2025-03-21 18:40:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128397 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C13H23N3O4S2 |
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| Molecular Mass | 349.113 |
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| SMILES | NC(CCCCNC(=O)CCCCC1SSNC1=O)C(=O)O |
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| InChI Key | BSAIYSYRWIZJHC-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty amidefatty acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacyclecarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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