| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:51 UTC |
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| Update Date | 2025-03-25 00:58:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232948 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H24N2O3S |
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| Molecular Mass | 276.1508 |
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| SMILES | CCC(C)C(NC(=O)CC(N)CCSC)C(=O)O |
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| InChI Key | CWNQCUJKAFVOKB-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidsulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupbranched fatty acidn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhybrid peptidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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