| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:46 UTC |
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| Update Date | 2025-03-21 18:04:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052261 |
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| Frequency | 62.3 |
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| Structure | |
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| Chemical Formula | C13H20N2O7 |
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| Molecular Mass | 316.1271 |
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| SMILES | O=C(O)C(=O)CCCNC(CCN1CCC1C(=O)O)C(=O)O |
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| InChI Key | IBBMSHLCZYRQHF-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsamino fatty acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarboxylic acidsdialkylaminesfatty acylshydrocarbon derivativesorganic oxidesorganopnictogen compoundstrialkylaminestricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidazetidinecarboxylic acidtricarboxylic acid or derivativesalpha-hydroxy ketoneketoneorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundalpha-keto acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundsecondary aliphatic amineazacycletertiary aliphatic aminesecondary amineamino fatty acidazetidineorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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