| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:44:37 UTC |
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| Update Date | 2025-03-21 18:00:12 UTC |
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| HMDB ID | HMDB0240559 |
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| Metabolite Identification |
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| DeepMet ID | DMID00025783 |
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| Name | Sulforaphane-cysteine-glycine |
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| Frequency | 149.3 |
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| Structure | |
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| Chemical Formula | C11H21N3O4S3 |
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| Molecular Mass | 355.0694 |
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| SMILES | CS(=O)CCCCNC(=S)SCC(N)C(=O)NCC(=O)O |
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| InChI Key | XXNFGCPBPYXDGU-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdipeptidesdithiocarbamic acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha peptideorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidedithiocarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessulfoxidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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