| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:52 UTC |
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| Update Date | 2025-03-25 00:45:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150821 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23N5O6S2 |
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| Molecular Mass | 397.109 |
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| SMILES | CC(=O)NC(NCC(=O)NCC(=O)O)C(N)CSSCC(N)C(=O)O |
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| InChI Key | VSTVJNNHDZMRIV-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkyldisulfidesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesecondary aliphatic aminesulfenyl compoundalpha-amino acid amidesecondary aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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