| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:49 UTC |
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| Update Date | 2025-03-21 18:31:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085688 |
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| Frequency | 33.3 |
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| Structure | |
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| Chemical Formula | C6H9NO6 |
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| Molecular Mass | 191.043 |
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| SMILES | NC(C(=O)O)C(=O)CC(O)C(=O)O |
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| InChI Key | ZITVDWHNDLMJFY-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 compoundsalpha hydroxy acids and derivativesamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholhydroxy acidamino fatty acidgamma-keto acidorganic oxygen compoundketo acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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