| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:20 UTC |
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| Update Date | 2025-03-25 00:53:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199745 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17N5O3S |
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| Molecular Mass | 275.1052 |
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| SMILES | N=C(N)NCCCC(N)C(=O)N1SCC1C(=O)O |
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| InChI Key | PPQGXSRYBOEPRD-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 acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthiazetidines |
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| Substituents | carbonyl group1,2-thiazetidinecarboxylic acidalpha-amino acid amideazacycleguanidineiminealpha-amino acid or derivativescarboximidamidealpha-dipeptideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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