| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:25 UTC |
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| Update Date | 2025-03-25 01:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252633 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO6 |
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| Molecular Mass | 203.043 |
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| SMILES | NC(CC(=O)C(=CO)C(=O)O)C(=O)O |
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| InChI Key | RWBBPUTWTNYBPR-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 | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsunsaturated fatty acidsvinylogous acids |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonebeta-keto acidketoneunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidenonealpha-branched alpha,beta-unsaturated-ketoneamino fatty acidbranched fatty acidgamma-keto acidvinylogous acidorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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