| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:47 UTC |
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| Update Date | 2025-03-21 17:58:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012685 |
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| Frequency | 356.8 |
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| Structure | |
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| Chemical Formula | C9H13NO4 |
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| Molecular Mass | 199.0845 |
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| SMILES | O=C=C(CCCCC=O)NCC(=O)O |
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| InChI Key | WTKKCUUUTZRCAJ-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 | alpha-hydrogen aldehydesamino acidscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidaldehydesecondary amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatealpha-hydrogen aldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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