| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:43 UTC |
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| Update Date | 2025-03-21 18:41:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133448 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C8H11NO5 |
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| Molecular Mass | 201.0637 |
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| SMILES | CC(CC(=C=O)NCC(=O)O)C(=O)O |
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| InChI Key | DIVIYQJNXVQDHX-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidgamma amino acid or derivativesalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminemethyl-branched fatty acidsecondary aminebranched fatty acidorganic oxygen compoundynolatedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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