| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:45 UTC |
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| Update Date | 2025-03-25 00:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223897 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H20N4O6S2 |
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| Molecular Mass | 368.0824 |
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| SMILES | NC(=O)CCC(=O)C(N)NC(CSSCC(N)C(=O)O)C(=O)O |
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| InChI Key | ICCSTNUDQXVOIZ-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarboxylic acidscysteine and derivativesdialkylaminesdialkyldisulfidesdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesketonesmonoalkylaminesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessulfenyl compounds |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty amidealpha-amino acid or derivativesorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativessecondary aliphatic aminesulfenyl compoundsecondary aminecarboxamide groupdialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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