| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:54 UTC |
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| Update Date | 2025-03-25 00:51:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187439 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO4 |
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| Molecular Mass | 189.1001 |
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| SMILES | CC(C)C(N)C(=O)CC(O)C(=O)O |
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| InChI Key | PYTYIYMFGLCJIU-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino fatty acidsbeta-hydroxy ketonesbranched fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidketoneorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativeshydroxy fatty acidalcoholhydroxy acidamino fatty acidbranched fatty acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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