| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:44 UTC |
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| Update Date | 2025-03-21 18:28:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073519 |
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| Frequency | 40.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O7 |
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| Molecular Mass | 274.0801 |
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| SMILES | O=C(O)CC(NC(=O)N1CCCC1C(=O)O)C(=O)O |
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| InChI Key | SBESKNBFIQCEJI-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidspyrrolidinecarboxamidestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidtricarboxylic acid or derivativesorganic oxiden-carbamoyl-alpha-amino acid or derivativespyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativescarbonic acid derivativeazacyclen-carbamoyl-alpha-amino acidpyrrolidine carboxylic acid or derivativesorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundpyrrolidine-1-carboxamide |
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