| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:11 UTC |
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| Update Date | 2025-03-21 18:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034181 |
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| Frequency | 110.4 |
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| Structure | |
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| Chemical Formula | C8H17N3O2S |
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| Molecular Mass | 219.1041 |
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| SMILES | CSCCC(N)C(N)=NC(C)C(=O)O |
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| InChI Key | AUZAHJALBFAKGC-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 acidsamidinescarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheralanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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