| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:09 UTC |
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| Update Date | 2025-03-25 01:00:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242736 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O5 |
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| Molecular Mass | 216.0746 |
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| SMILES | CC(=NC(C)C(=O)O)C(=O)NCC(=O)O |
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| InChI Key | IRRSOLOEGPNFEP-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidessecondary ketimines |
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| Substituents | aliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidiminepropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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