| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:51 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153125 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H30N6O14P2 |
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| Molecular Mass | 664.1295 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc5ncnc(N)c54)C(O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | MDEBBGUHKBSNMB-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 | amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminesprimary carboxylic acid amidespyrimidines and pyrimidine derivativespyrrolopyrimidinessecondary alcoholssubstituted pyrrolestetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouppentose phosphateamino acid or derivativesnicotinamidemonosaccharidepentose-5-phosphatesubstituted pyrrolenicotinamide-nucleotidecarboxylic acid derivativepyrimidinepyrrolopyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineimidolactamorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compoundenamine |
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