| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:20 UTC |
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| Update Date | 2025-03-25 00:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236336 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H24N4O6S3 |
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| Molecular Mass | 428.0858 |
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| SMILES | CSCCC(=O)C(N)NC(CSSCC(N)C(=O)O)C(=O)NCC(=O)O |
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| InChI Key | ZHHDOTKYCXYWOI-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 acidscarboxylic acidscysteine and derivativesdialkylaminesdialkyldisulfidesdialkylthioethersdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesketonesmonoalkylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundalpha peptideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundalpha-amino acid amidedialkylthioethersecondary aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundthioetherorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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