| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:35 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207146 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO2S |
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| Molecular Mass | 171.0354 |
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| SMILES | O=C(O)C1CC2SCCC2=N1 |
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| InChI Key | QJRMNVVZDZRDDJ-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroline 2-carboxylic acidsthiolanes |
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| Substituents | thiolaneketiminecarbonyl groupcarboxylic acidiminepropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherpyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundpyrroline 2-carboxylic acidmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundpyrroline carboxylic acidthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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