| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:59 UTC |
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| Update Date | 2025-03-21 18:37:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117586 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C11H14N2O5 |
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| Molecular Mass | 254.0903 |
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| SMILES | O=C(O)CCC(NC(=O)Cc1cc[nH]c1)C(=O)O |
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| InChI Key | JNQZIDBNCSULAJ-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundn-acyl-alpha amino acid or derivatives |
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