| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:27 UTC |
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| Update Date | 2025-03-21 18:33:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096725 |
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| Frequency | 28.6 |
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| Structure | |
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| Chemical Formula | C13H21N3O9S2 |
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| Molecular Mass | 427.0719 |
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| SMILES | NC(CSSCC(NC(CCC(=O)O)C(=O)O)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | FHIKWSKCOODDJG-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 | alpha amino acid amidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkyldisulfidesdipeptidesglutamic acid and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstetracarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundalpha-amino acid amidetetracarboxylic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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