| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:32 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186560 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H35N5O10S2 |
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| Molecular Mass | 677.1825 |
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| SMILES | NC1CSSCC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccc(O)cc2)NC1=O |
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| InChI Key | IEYVEWBOPSUGJW-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclic peptidesdicarboxylic acids and derivativesglutamic acid and derivativeshydrocarbon derivativeslactamsmacrolactamsmonoalkylaminesn-acyl-alpha amino acidsorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativemacrolactamorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativespolypeptideazacyclen-acyl-alpha-amino acidglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundcyclic alpha peptideorganic disulfidedicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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