| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:12 UTC |
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| Update Date | 2025-03-25 00:51:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190360 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12N2O2S |
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| Molecular Mass | 176.0619 |
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| SMILES | CC(=N)SCCC(N)C(=O)O |
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| InChI Key | QHZJWWZTUISGAJ-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesimidothioestersimidothioic acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundfatty acidorganosulfur compoundimidothioesterorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundimidothioic acid or derivativesorganooxygen compound |
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