| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:26 UTC |
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| Update Date | 2025-03-25 00:56:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216183 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO4 |
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| Molecular Mass | 201.1001 |
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| SMILES | CCCC=CC(=O)C(N)C(O)C(=O)O |
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| InChI Key | BTFMPEUEQFZBSV-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha hydroxy acids and derivativesamino fatty acidsbeta-hydroxy ketonescarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha-hydroxy acidmonosaccharidealpha,beta-unsaturated ketoneketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidenonealcoholhydroxy acidamino fatty acidbeta amino acid or derivativesgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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