| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:26 UTC |
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| Update Date | 2025-03-21 18:03:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044413 |
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| Frequency | 76.1 |
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| Structure | |
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| Chemical Formula | C8H17N3O5S2 |
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| Molecular Mass | 299.061 |
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| SMILES | NC(CSSCC(N)C(O)NCC(=O)O)C(=O)O |
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| InChI Key | XHJWUWXWWYDCAP-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 derivativeshemiaminalshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundhemiaminalorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminesecondary aliphatic aminesulfenyl compoundsecondary aminedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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