| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:39 UTC |
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| Update Date | 2025-03-21 18:06:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061362 |
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| Frequency | 50.8 |
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| Structure | |
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| Chemical Formula | C13H22N2O7 |
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| Molecular Mass | 318.1427 |
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| SMILES | O=C(O)CC(O)CCNC(CCN1CCC1C(=O)O)C(=O)O |
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| InChI Key | OTOVUXLXGPLCIY-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 acidsazetidinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganopnictogen compoundssecondary alcoholstrialkylaminestricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidazetidinecarboxylic acidtricarboxylic acid or derivativesbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidtertiary amineorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycletertiary aliphatic aminehydroxy acidsecondary amineamino fatty acidazetidineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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