| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:25 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223164 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O7 |
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| Molecular Mass | 331.138 |
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| SMILES | NC(CCCCNCC1(O)C=C(C(=O)O)NC1C(=O)O)C(=O)O |
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| InChI Key | QBWKFHVLZBDEON-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspyrroline 2-carboxylic acidstertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic amineazacyclepyrroline carboxylic acid or derivativessecondary aminepyrroline 2-carboxylic acidtertiary alcoholorganic oxygen compoundpyrrolinepyrroline carboxylic acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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