| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:30 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200106 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19N3O6S |
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| Molecular Mass | 321.0995 |
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| SMILES | N=C(NCCCCC(N)C(=O)O)SCC(C(=O)O)C(=O)O |
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| InChI Key | KHTGIMWCPQIGEI-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 acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesiminesisothioureasmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundiminetricarboxylic acid or derivativescarboximidamideorganosulfur compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundisothiourea |
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