| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:12 UTC |
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| Update Date | 2025-03-25 00:49:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172028 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21N5O7 |
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| Molecular Mass | 395.1441 |
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| SMILES | CC(=O)NC(Cc1cn(C2OC(CO)C(O)C2O)c2c(N)ncnc12)C(=O)O |
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| InChI Key | XVXKXMQKCCCAQG-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyrimidines and pyrimidine derivativespyrrolopyrimidinessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acidmonosaccharidesubstituted pyrrolepyrimidinepyrrolopyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundacetamidealcoholazacyclen-acyl-alpha-amino acidtetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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