| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:23 UTC |
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| Update Date | 2025-03-21 18:28:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070244 |
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| Frequency | 42.9 |
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| Structure | |
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| Chemical Formula | C9H17NO4 |
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| Molecular Mass | 203.1158 |
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| SMILES | COC(=O)C(NC(C)C(=O)O)C(C)C |
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| InChI Key | HVRGDDGXJUTHDZ-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 acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersorganic oxidesorganopnictogen compoundsvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminealpha-amino acid estervaline or derivativessecondary aminefatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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