| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:39 UTC |
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| Update Date | 2025-03-21 18:38:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119199 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C16H27N3O9 |
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| Molecular Mass | 405.1747 |
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| SMILES | O=C(O)C(O)CCNC(CCNC(CCN1CCC1C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | TUDIXMCAOBYNGI-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesamino acidsamino fatty acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsdialkylaminesfatty acylsgamma amino acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidgamma amino acid or derivativesalpha-hydroxy acidmonosaccharideazetidinecarboxylic acidalpha-amino acid or derivativessaccharideorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidtertiary amineorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycletertiary aliphatic aminetetracarboxylic acid or derivativeshydroxy acidsecondary amineamino fatty acidazetidineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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