| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:25 UTC |
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| Update Date | 2025-03-21 18:38:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120966 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O3S3 |
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| Molecular Mass | 338.0793 |
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| SMILES | C=CCNC(CSC(=S)NCCCCS(C)=O)C(=O)O |
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| InChI Key | DUEYRWHPTBOXAM-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 acidsdialkylaminesdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundsecondary aminedithiocarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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