| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:18 UTC |
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| Update Date | 2025-03-25 00:51:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17N3O5S2 |
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| Molecular Mass | 311.061 |
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| SMILES | CC(NC(N)C(=O)CSSCC(N)C(=O)O)C(=O)O |
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| InChI Key | DPXPPSRUVCXYJD-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsamino acidscarboxylic acidsdialkylaminesdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativesketonesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundsecondary aminedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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