| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:04 UTC |
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| Update Date | 2025-03-25 00:45:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148960 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO4 |
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| Molecular Mass | 237.1001 |
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| SMILES | CCCC=C=C1C=C(C(=O)O)NC(C(=O)O)C1 |
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| InChI Key | AEYIXTDZQZUWPO-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 acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundstetrahydropyridines |
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| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acidtetrahydropyridinesecondary amineorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
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