| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:43:24 UTC |
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| Update Date | 2025-03-21 17:59:43 UTC |
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| HMDB ID | HMDB0251505 |
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| Metabolite Identification |
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| DeepMet ID | DMID00022906 |
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| Name | Djenkolic acid |
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| Frequency | 172.6 |
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| Structure | |
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| Chemical Formula | C7H14N2O4S2 |
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| Molecular Mass | 254.0395 |
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| SMILES | NC(CSCSCC(N)C(=O)O)C(=O)O |
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| InChI Key | JMQMNWIBUCGUDO-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 acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesdithioacetalshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxideorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminethioacetalorganic nitrogen compoundorganooxygen compound |
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