Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:21:06 UTC |
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Update Date | 2025-03-21 18:36:54 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00112997 |
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Frequency | 23.4 |
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Structure | |
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Chemical Formula | C13H17N5O5 |
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Molecular Mass | 323.123 |
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SMILES | CN(C)c1cnc2c(ncn2C2OC(CO)C(O)C2O)c(=O)n1 |
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InChI Key | GKYRRDUKQYQWQH-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organic nitrogen compounds |
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Class | organonitrogen compounds |
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Subclass | amines |
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Direct Parent | dialkylarylamines |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | 1,4-diazepinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuransvinylogous amides |
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Substituents | monosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compounddialkylarylamineprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundoxacyclepara-diazepineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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