| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:19 UTC |
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| Update Date | 2025-03-21 18:41:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134759 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C17H29N2O18P3 |
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| Molecular Mass | 642.0628 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(CO)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | WTETYAQWAQHBHL-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 | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkyl ethersdihydropyridinesenamineshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary alcoholsprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupetherpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotidecarboxylic acid derivativedialkyl ethersaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineprimary alcoholorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofurancarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
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