| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:05 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240293 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15N3O5 |
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| Molecular Mass | 245.1012 |
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| SMILES | NC(CCC1NCC(C(=O)O)NC1=O)C(=O)O |
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| InChI Key | KJYWIVRAHHGWQB-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 | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeslactamsmonoalkylaminesorganic oxidesorganopnictogen compoundspiperazine carboxylic acidspiperazinessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxidepiperazinealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacyclepiperazine-2-carboxylic acidsecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compound1,4-diazinanedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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