| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:43 UTC |
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| Update Date | 2025-03-25 00:59:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239424 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N4O4 |
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| Molecular Mass | 280.1172 |
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| SMILES | N=C(N)Nc1ccc(OC(=O)CCC(N)C(=O)O)cc1 |
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| InChI Key | LTOILWNWLQAISA-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersguanidineshydrocarbon derivativesiminesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenol estersphenoxy compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundglutamic acid or derivativescarboximidamidearomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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