| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:56 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217368 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H24N3O3S2+ |
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| Molecular Mass | 310.1254 |
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| SMILES | C[N+](C)(C)CC(=O)NCCSSCCC(N)C(=O)O |
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| InChI Key | KOEKLZUNAPWNKN-UHFFFAOYSA-O |
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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 acid amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsaminescarbonyl compoundscarboxylic acidsdialkyldisulfideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstetraalkylammonium saltsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltsulfenyl compoundalpha-amino acid amidetetraalkylammonium saltquaternary ammonium saltcarboxamide groupsecondary carboxylic acid amidedialkyldisulfidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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