| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:14 UTC |
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| Update Date | 2025-03-21 18:37:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115761 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C13H21NO3S2 |
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| Molecular Mass | 303.0963 |
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| SMILES | O=C(O)C1CCCN1C(=O)CCCCC1CCSS1 |
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| InChI Key | WVEUVQUXXSXSES-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativeslipoamidesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidn-acylpyrrolidine1,2-dithiolaneorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesazacyclen-acyl-alpha-amino acidcarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compounddithiolaneorganic disulfidelipoamidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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