| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:37 UTC |
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| Update Date | 2025-03-25 00:54:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207223 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N4O7 |
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| Molecular Mass | 328.1019 |
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| SMILES | Nc1nc(=O)c2c(n1C1OC(CO)C(O)C1O)NC(C(=O)O)C2 |
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| InChI Key | ZKOGCMSSVYHEGB-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyrimidinecarboxylic acidspyrimidonespyrrolespyrrolopyrimidinessecondary alcoholssecondary alkylarylaminestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidmonosaccharidepyrimidonepyrimidinepyrrolopyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholpyrimidine-6-carboxylic acidorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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