| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:34 UTC |
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| Update Date | 2025-03-25 00:58:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230007 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H47N3O9S |
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| Molecular Mass | 637.3033 |
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| SMILES | CCCCCC=CCC=CC=CC=CC=CC(SCC(NC(=O)C(N)CC(=O)O)C(=O)NCC(=O)O)C(O)CCCC(=O)O |
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| InChI Key | HZYISMBYEYGIBW-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 acyclic compounds |
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| Alternative Parents | acyl glycinesalpha amino acid amidesalpha amino acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspeptidessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativealpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholpolypeptidesulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminen-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativesaspartic acid or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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