| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:19 UTC |
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| Update Date | 2025-03-25 01:01:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250140 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H35N7O14P2S |
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| Molecular Mass | 739.1438 |
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| SMILES | CSCCNc1ncc2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=CCC(C(N)=O)=C5)C(O)C4O)C(O)C3O)c2n1 |
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| InChI Key | XGHLGGNHVDCURI-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 derivativesdialkylthioethersdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | amino acid or derivativespurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotideimidazopyrimidinesaccharidepurine ribonucleoside diphosphateorganonitrogen compounddihydropyridineorganoheterocyclic compoundalcoholvinylogous amidesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic pyrophosphatesecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeamineenamineprimary carboxylic acid amidecarbonyl grouppentose phosphateorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundazolen-substituted imidazoletetrahydrofuransecondary aminecarboxamide groupn-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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