| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:47 UTC |
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| Update Date | 2025-03-25 00:57:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223966 |
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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 | NC(=O)CNC(CSSCCC(N)C(=O)O)C(=O)O |
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| InChI Key | OGSPEPQTFCIROS-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 | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundsecondary aminecarboxamide groupdialkyldisulfidethia fatty acidorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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