| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:04 UTC |
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| Update Date | 2025-03-25 00:51:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16N4O12P2 |
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| Molecular Mass | 446.024 |
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| SMILES | Nc1ncn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)c1NC=O |
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| InChI Key | JEDDINKYCXMQFM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-arylamidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphateamino acid or derivativespentose-5-phosphatepyrimidonen-arylamidecarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphateoxacyclesecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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