| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:26 UTC |
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| Update Date | 2025-03-25 00:46:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156758 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO5 |
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| Molecular Mass | 187.0481 |
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| SMILES | C=CC(=O)C(NCC(=O)O)C(=O)O |
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| InChI Key | LPUQFJXCYPUBEC-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 compoundsacryloyl compoundsamino acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylaminesdicarboxylic acids and derivativesenoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundsshort-chain keto acids and derivativesb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidb'-hydroxy-alpha,beta-unsaturated-ketoneshort-chain keto acidalpha,beta-unsaturated ketonebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonesecondary aliphatic aminesecondary amineorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-grouporganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundamine |
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