| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:04 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240244 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23N5O7S2 |
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| Molecular Mass | 425.1039 |
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| SMILES | NC(CCC(=O)NC(=NCC(=O)O)C(N)CSSCC(N)C(=O)O)C(=O)O |
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| InChI Key | HKPXRVRISXXNJH-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 | glutamine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidscysteine and derivativesdialkyldisulfideshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativestricarboxylic acid or derivativesorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundorganic 1,3-dipolar compoundcarboximidamiden-acyl-aminedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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