| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:39 UTC |
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| Update Date | 2025-03-21 18:30:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080575 |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C7H12N2O4S |
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| Molecular Mass | 220.0518 |
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| SMILES | O=C(O)C(CO)NC(=O)C1CSCN1 |
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| InChI Key | JKVUHUKOMPDQPZ-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 compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesserine and derivativesthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundprimary alcoholorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholsecondary aliphatic amineazacyclen-acyl-alpha-amino aciddialkylthioetherhydroxy acidsecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compoundaminethiazolidine |
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