| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:25:21 UTC |
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| Update Date | 2025-03-21 18:38:54 UTC |
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| HMDB ID | HMDB0060011 |
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| Metabolite Identification |
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| DeepMet ID | DMID00123148 |
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| Name | N-acetyl-S-(N-allylthiocarbamoyl)-L-cysteine |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C9H14N2O3S2 |
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| Molecular Mass | 262.0446 |
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| SMILES | C=CCNC(=S)SCC(N=C(C)O)C(=O)O |
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| InChI Key | DJFUZUUKZXAXBZ-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 compounds |
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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 compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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