| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:50 UTC |
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| Update Date | 2025-03-21 18:35:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105027 |
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| Frequency | 25.8 |
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| Structure | |
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| Chemical Formula | C21H26N6O7 |
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| Molecular Mass | 474.1863 |
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| SMILES | CN1c2c(nc(N)[nH]c2=O)C=CC1CNC1=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)C(O)C1 |
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| InChI Key | LDELYAIUWUQDFS-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylarylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespyridines and derivativespyridopyrimidinespyrimidonessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidpyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidpyridopyrimidineorganopnictogen compounddialkylarylaminetertiary amineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholsecondary aliphatic amineazacyclen-acyl-alpha-amino acidheteroaromatic compoundglutamic acid or derivativessecondary aminecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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