| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:52 UTC |
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| Update Date | 2025-03-21 18:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033406 |
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| Frequency | 131.7 |
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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 | CSCCC(NC(=N)NCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | BXPMQIWFHAUGAG-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 | arginine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesmethionine and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidorganosulfur compoundorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboximidamidethia fatty acidorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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