| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:54 UTC |
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| Update Date | 2025-03-25 00:50:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178304 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N3O5 |
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| Molecular Mass | 269.1012 |
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| SMILES | COC(=O)C(CCC(=O)O)NC(=O)Cc1cnc[nH]1 |
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| InChI Key | HQSCKJUTCGOWNW-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 acid estersalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesmethyl estersn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxidemethyl esterimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesalpha-amino acid esterazacyclen-acyl-alpha-amino acidheteroaromatic compoundglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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