| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:12 UTC |
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| Update Date | 2025-03-25 00:51:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188091 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H25N5O5 |
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| Molecular Mass | 331.1856 |
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| SMILES | CC(=O)NCCCNCCCNC(=N)NC(CC(=O)O)C(=O)O |
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| InChI Key | QVVBUMRLQNMEFJ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidscarbonyl compoundscarboximidamidescarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acids and conjugatesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidguanidineiminefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesecondary aliphatic aminecarboximidamidesecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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