| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:08 UTC |
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| Update Date | 2025-03-21 17:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020076 |
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| Frequency | 202.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O3S |
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| Molecular Mass | 230.0725 |
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| SMILES | O=C(O)C1CCCN1C(=O)C1CSCN1 |
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| InChI Key | NDWNRKGHLCQCOJ-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidn-acylpyrrolidinealpha-amino acid or derivativesorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativessecondary aliphatic amineazacyclen-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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