| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:23 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223080 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15N3O6S |
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| Molecular Mass | 305.0682 |
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| SMILES | NC(CCC(=O)NC1SCC(C(=O)O)NC1=O)C(=O)O |
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| InChI Key | AQVRLQWYHOXUMY-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 | oligopeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesglutamine and derivativesheterocyclic fatty acidshydrocarbon derivativeslactamsmonoalkylaminesn,s-acetalsn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiomorpholine carboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidglutamine or derivativesheterocyclic fatty acidfatty amidefatty acidalpha-amino acid or derivativesn,s-acetalorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundthiomorpholine-3-carboxylic acidorganoheterocyclic compoundn-acyl-alpha amino acid or derivatives1,4-thiazinaneazacyclen-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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