Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:53:13 UTC |
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Update Date | 2025-03-25 00:51:16 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02185816 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C18H20N8O5 |
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Molecular Mass | 428.1557 |
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SMILES | Nc1nc2c(N)nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2[nH]1 |
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InChI Key | MJDKIJSKSRXWSY-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 compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativesimidazolesimidolactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alkylarylaminessecondary carboxylic acid amides |
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Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylimidazopyrimidinebenzamidepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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