| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:09 UTC |
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| Update Date | 2025-03-25 00:47:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160527 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N6O7 |
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| Molecular Mass | 396.1393 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(C(O)CCC(=O)NCC(=O)O)C(O)C1O |
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| InChI Key | ZKQAKFHOVIBWGM-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 compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurine nucleosidespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidfatty amidemonosaccharideimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundcarboxamide groupn-acyl-aminen-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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