| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:05 UTC |
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| Update Date | 2025-03-21 18:35:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105639 |
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| Frequency | 25.6 |
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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(C)NC(C(=O)O)C(C)C |
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| InChI Key | AXQHOXLFIRKRPD-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 derivativeshydrocarbon derivativesmethyl estersmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundsshort-chain hydroxy acids and derivativesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidfatty acidorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminemethyl-branched fatty acidalpha-amino acid estervaline or derivativessecondary aminebranched fatty acidorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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