| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:25 UTC |
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| Update Date | 2025-03-25 01:01:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248068 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H40N8O3 |
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| Molecular Mass | 440.3223 |
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| SMILES | CC(=O)NCCCNCCCCNC(=O)C1CCCN1C(=O)C(N)CCCNC(=N)N |
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| InChI Key | RMCHMQKTPYQIAW-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acids and derivativesdialkylaminesguanidineshydrocarbon derivativesiminesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | carbonyl groupamino acid or derivativesguanidineiminen-acylpyrrolidinealpha-amino acid or derivativesorganic oxidetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundacetamideproline or derivativessecondary aliphatic aminealpha-amino acid amideazacyclecarboximidamidesecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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