| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:19 UTC |
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| Update Date | 2025-03-25 00:45:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151872 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23N3O4S |
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| Molecular Mass | 317.1409 |
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| SMILES | NC(CCCCNC(=S)N1CCC(C(=O)O)CC1)C(=O)O |
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| InChI Key | PNXZYWCBQQIUOQ-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinesthioureas |
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| Substituents | fatty acylcarbonyl groupthioureacarboxylic acidheterocyclic fatty acidfatty acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidmedium-chain fatty acidpiperidineorganoheterocyclic compoundazacycleorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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