| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:49:42 UTC |
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| Update Date | 2025-03-21 18:02:25 UTC |
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| HMDB ID | HMDB0033592 |
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| Metabolite Identification |
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| DeepMet ID | DMID00037850 |
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| Name | (R)C(S)S-Alliin |
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| Frequency | 92.8 |
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| Structure | |
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| Chemical Formula | C6H11NO3S |
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| Molecular Mass | 177.046 |
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| SMILES | C=CCS(=O)CC(N)C(=O)O |
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| InChI Key | XUHLIQGRKRUKPH-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | allyl sulfur compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl sulfur compoundorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxidealpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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