| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:57 UTC |
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| Update Date | 2025-03-21 18:35:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105322 |
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| Frequency | 25.7 |
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| Structure | |
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| Chemical Formula | C18H31N3O3S |
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| Molecular Mass | 369.2086 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(N)C(C)C |
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| InChI Key | JKUZMXAICCSREG-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 acid amidesalpha amino acidsbeta amino acids and derivativescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactonesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amidealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonethiocarboxylic acid or derivativessulfenyl compoundalpha-amino acid amidethiocarboxylic acid estervaline or derivativescarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundhybrid peptidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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