| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:28 UTC |
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| Update Date | 2025-03-25 00:49:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174940 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H26N2O4S |
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| Molecular Mass | 318.1613 |
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| SMILES | CCCCCC(N=C(O)C(CCSC)NC(C)=O)C(=O)O |
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| InChI Key | VBKGSJIYUUIJFZ-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 | acetamidescarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundmedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidacetamidesulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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