| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:22 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179333 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17N3O2S |
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| Molecular Mass | 231.1041 |
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| SMILES | CSCCN=C(N)N1CCCC1C(=O)O |
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| InChI Key | ZKFPJFJASWUDAV-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 | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersguanidineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acidssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidguanidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessulfenyl compoundazacycledialkylthioetherorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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