| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:11 UTC |
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| Update Date | 2025-03-21 18:31:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084179 |
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| Frequency | 34.1 |
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| Structure | |
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| Chemical Formula | C16H23N7O8 |
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| Molecular Mass | 441.1608 |
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| SMILES | CC(O)C(NC(N)=O)C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C(O)C1O |
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| InChI Key | RWPKCILTHBPINO-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-carbamoyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-arylamidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupfatty amidemonosacchariden-arylamideimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholcarbonic acid derivativealpha-amino acid amideazacyclen-carbamoyl-alpha-amino acidheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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