| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:14 UTC |
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| Update Date | 2025-03-25 00:45:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151656 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H31N5O14P2 |
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| Molecular Mass | 639.1343 |
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| SMILES | Cn1c(=N)ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=CCC(C(N)=O)=C4)C(O)C3O)O2)c1=O |
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| InChI Key | ANYHRIBNZYNRDF-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 | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyrimidonessecondary alcoholstetrahydrofuransureasvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatepyrimidonenicotinamide-nucleotidecarboxylic acid derivativepyrimidineureasaccharideorganic oxideorganonitrogen compoundorganopnictogen compounddihydropyridineimidolactamorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
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