| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:47 UTC |
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| Update Date | 2025-03-25 00:58:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230510 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H21N3O3S |
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| Molecular Mass | 263.1304 |
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| SMILES | CN=C(NCCCCS(C)=O)NC(C)C(=O)O |
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| InChI Key | FRFIDPCCYGDQPW-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineimineorganic 1,3-dipolar compoundcarboximidamideorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxidealpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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