| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:09:57 UTC |
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| Update Date | 2025-03-24 21:03:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01657888 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C30H40N12O23P4 |
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| Molecular Mass | 1060.128 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C(n4cnc5c(N)ncnc54)O3)C(O)C2O)C=CC1 |
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| InChI Key | HHNSLPYMXDSEOV-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxolanesacetalsamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminesprimary carboxylic acid amidespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | amino acid or derivativespurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotideimidazopyrimidinesaccharidepurine ribonucleoside diphosphateacetalorganonitrogen compounddihydropyridineorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundorganic pyrophosphatemonoalkyl phosphatehydrocarbon derivativeprimary amineamineenamineprimary carboxylic acid amidemeta-dioxolanecarbonyl grouppentose phosphatecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamazolen-substituted imidazoletetrahydrofurancarboxamide groupn-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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