| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:32 UTC |
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| Update Date | 2025-03-21 18:41:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133020 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C29H45N3O9S |
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| Molecular Mass | 611.2877 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CC(N)C(=O)O)C(=O)NCC(=O)O)C(O)CCCC(=O)O |
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| InChI Key | OKUNHIQGTAUXBX-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 | acyl glycinesalpha amino acid amidesalpha amino acidsasparagine and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdipeptideshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary 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 derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesn-acyl-alpha amino acid or derivativesalcoholsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminen-acylglycinen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativessecondary alcoholhybrid peptidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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