| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:03 UTC |
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| Update Date | 2025-03-25 00:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237953 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O7 |
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| Molecular Mass | 313.091 |
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| SMILES | O=C(O)CCC(NC(=O)C(Cc1c[nH]cn1)C(=O)O)C(=O)O |
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| InChI Key | MBLSIJZMVUYPIC-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 | 1,3-dicarbonyl compoundsalpha amino acidsazacyclic compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amidetricarboxylic acid or derivativesorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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