| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:53 UTC |
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| Update Date | 2025-03-25 00:56:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217247 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H20N2O5S3 |
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| Molecular Mass | 332.0534 |
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| SMILES | NC(CSSCC(O)C(O)NCC(O)CS)C(=O)O |
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| InChI Key | JJJQJVAKRHWMMT-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 | alkylthiolsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkyldisulfideshemiaminalshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundhemiaminalorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminealcoholsecondary aliphatic aminesulfenyl compoundsecondary aminedialkyldisulfidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidecysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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