| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:41 UTC |
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| Update Date | 2025-03-25 01:01:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248659 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H22N4O4S |
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| Molecular Mass | 306.1362 |
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| SMILES | N=C(NCCCC(N)C(=O)O)SCCCC(N)C(=O)O |
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| InChI Key | NYWUMFBFSISWLR-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 | carbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesiminesisothioureasmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundiminefatty acidcarboximidamideorganosulfur compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundisothiourea |
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