| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:11 UTC |
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| Update Date | 2025-03-21 18:03:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043769 |
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| Frequency | 77.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O7 |
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| Molecular Mass | 331.138 |
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| SMILES | NC(CCC(=O)NC(CCN1CCC1C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | URCMIFFIJYJYRN-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 acidsamino fatty acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestrialkylaminestricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglutamine or derivativesamino acid or derivativesamino acidfatty amideazetidinecarboxylic acidtricarboxylic acid or derivativesalpha-amino acid or derivativesorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidtertiary aliphatic amineamino fatty acidcarboxamide groupn-acyl-amineazetidinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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