| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:26 UTC |
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| Update Date | 2025-03-25 01:01:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248120 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H26N2O16P2 |
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| Molecular Mass | 564.0758 |
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| SMILES | NC(=O)C1=C(O)N(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | XWYWYQIEXKAUNN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | pyridine nucleotides |
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| Subclass | nicotinamide nucleotides |
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| Direct Parent | nicotinamide nucleotides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkanolaminesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridineshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary alcoholsprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous acidsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouppentose phosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotidecarboxylic acid derivativesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineprimary alcoholorganoheterocyclic compoundalkanolaminealcoholvinylogous amideazacycletetrahydrofurancarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacyclevinylogous acidorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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