| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:14 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H28N3O15P2+ |
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| Molecular Mass | 624.099 |
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| SMILES | CC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)CC3O)C(O)C2O)c1 |
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| InChI Key | LSKSQDKQUFEHSL-UHFFFAOYSA-O |
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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 | pyridine nucleotides |
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| Direct Parent | pyridine nucleotides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamaryl alkyl ketonearomatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatepyrimidonepyrimidineketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundpyridine nucleotidealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridineorganic pyrophosphateoxacyclepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundaryl ketone |
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