| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:16 UTC |
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| Update Date | 2025-03-25 00:49:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172188 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N4O4S |
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| Molecular Mass | 318.1362 |
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| SMILES | CN=C(CCCNC(=S)NCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | KXAQMCMSHSRMPU-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 compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminesthioureas |
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| Substituents | aliphatic acyclic compoundketiminecarbonyl groupthioureacarboxylic acidiminefatty acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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