| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:26:46 UTC |
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| Update Date | 2025-03-21 18:39:35 UTC |
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| HMDB ID | HMDB0061113 |
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| Metabolite Identification |
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| DeepMet ID | DMID00126471 |
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| Name | Sulforaphane-N-acetylcysteine |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C11H20N2O4S3 |
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| Molecular Mass | 340.0585 |
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| SMILES | CC(O)=NC(CSC(=S)NCCCCS(C)=O)C(=O)O |
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| InChI Key | IIHBKTCHILXGOT-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 compoundscarboximidic acidscarboxylic acidsdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidsulfenyl compoundorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compounddithiocarbamic acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundcysteine or derivativesorganonitrogen compoundsulfoxidealpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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