| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:53 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153209 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25N5O6S2 |
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| Molecular Mass | 447.1246 |
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| SMILES | NC(=O)CCC1NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)O)NC1=O |
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| InChI Key | LUYOEPXIAUOPTI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic polymers |
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| Class | polypeptides |
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| Subclass | polypeptides |
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| Direct Parent | polypeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscyclic peptidesfatty amideshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidesproline and derivativespyrrolidine carboxylic acidssecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl grouplactamcarboxylic acidfatty amiden-acylpyrrolidinealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativespolypeptideazacyclen-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptideorganic disulfidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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