| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:50 UTC |
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| Update Date | 2025-03-25 00:49:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173502 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23N3O4S |
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| Molecular Mass | 317.1409 |
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| SMILES | CCC(C)C1NC(=O)C(CSCCC(N)C(=O)O)NC1=O |
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| InChI Key | RDISCYCZIPIOEI-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 | 2,5-dioxopiperazinesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acidorganosulfur compound2,5-dioxopiperazineorganic oxidedioxopiperazinepiperazinealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioether1,4-diazinanehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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