| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:46 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178020 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO6 |
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| Molecular Mass | 231.0743 |
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| SMILES | COC(=O)CCC(NCC(=O)O)C(O)=C=O |
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| InChI Key | SNDLBDDTDYZBQR-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 acid methyl estershydrocarbon derivativesmethyl estersorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidgamma amino acid or derivativesalpha-amino acid or derivativesorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminefatty acid esterfatty acid methyl esterorganic oxygen compoundynolatecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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