| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:15 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160728 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18N6O4 |
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| Molecular Mass | 370.139 |
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| SMILES | Nc1nc2c(c(=O)[nH]1)C(CN1C3=CC=C(C(=O)NCC(=O)O)CC1=C3)CN2 |
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| InChI Key | VBBXLOPIIHOQQA-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsazepinescarbonyl compoundscarboxylic acidsenaminesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonespyrrolespyrrolopyrimidinessecondary alkylarylaminessecondary carboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidpyrimidonepyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamtertiary amineorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundtertiary aliphatic aminesecondary aminecarboxamide groupn-acylglycinesecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundazepinepyrrolehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundenamine |
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