| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:15 UTC |
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| Update Date | 2025-03-21 18:39:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125240 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O8 |
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| Molecular Mass | 318.1063 |
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| SMILES | O=C(O)CC(NC(CCN1CCC1C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | GSAFWEHLFCJJRB-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsdialkylaminesfatty acylshydrocarbon derivativesorganic oxidesorganopnictogen compoundstetracarboxylic acids and derivativestrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidazetidinecarboxylic acidorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundsecondary aliphatic amineazacycletertiary aliphatic aminetetracarboxylic acid or derivativessecondary amineamino fatty acidazetidineorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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