| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:25 UTC |
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| Update Date | 2025-03-21 18:00:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027634 |
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| Frequency | 137.1 |
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| Structure | |
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| Chemical Formula | C13H23N3O6 |
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| Molecular Mass | 317.1587 |
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| SMILES | NC(CCCNC(CCN1CCC1C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | VHTIUDMAYTWDCX-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 | amino acidsamino fatty acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsdialkylaminesfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundstrialkylaminestricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidazetidinecarboxylic acidtricarboxylic acid or derivativesorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundsecondary aliphatic amineazacycletertiary aliphatic aminesecondary amineamino fatty acidazetidineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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