| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:57 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171495 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H21N3O2S2 |
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| Molecular Mass | 279.1075 |
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| SMILES | CN(C)CCSC(=S)NCCCC(N)C(=O)O |
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| InChI Key | FEKJGKRPVNIRBV-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 | amino acidscarbonyl compoundscarboxylic acidsdithiocarbamic acid estersfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundstrialkylamines |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminesulfenyl compoundtertiary aliphatic aminedithiocarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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