| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:50:33 UTC |
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| Update Date | 2025-03-21 18:02:43 UTC |
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| HMDB ID | HMDB0253007 |
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| Metabolite Identification |
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| DeepMet ID | DMID00039828 |
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| Name | L-Aspartic acid 4-benzyl ester |
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| Frequency | 87.1 |
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| Structure | |
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| Chemical Formula | C11H13NO4 |
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| Molecular Mass | 223.0845 |
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| SMILES | NC(CC(=O)OCc1ccccc1)C(=O)O |
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| InChI Key | VGALFAWDSNRXJK-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzyloxycarbonylscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | benzyloxycarbonylfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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