| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:11 UTC |
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| Update Date | 2025-03-21 17:57:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008894 |
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| Frequency | 546.8 |
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| Structure | |
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| Chemical Formula | C9H16N2O6 |
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| Molecular Mass | 248.1008 |
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| SMILES | NC(CCCCNC(C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | XINFXVVRMYBFMI-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 acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsamino acidscarboxylic acidsdialkylamineshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativessecondary amineorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundamine |
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