| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:59 UTC |
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| Update Date | 2025-03-25 00:51:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185267 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H31N5O14P2 |
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| Molecular Mass | 627.1343 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3O)C(O)C2O)CCC1 |
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| InChI Key | RGIOCNHHSDVLIH-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 heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesenaminesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesnicotinamidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminesprimary carboxylic acid amidespyrimidonessecondary alcoholstetrahydrofuranstetrahydropyridinesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundpentose phosphateamino acid or derivativesnicotinamidemonosaccharidepentose-5-phosphatepyrimidonenicotinamide-nucleotidecarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundtetrahydropyridinecarboxamide grouporganic pyrophosphateoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compoundenamine |
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