| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:42 UTC |
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| Update Date | 2025-03-21 18:33:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094851 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C13H23N3O11P2 |
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| Molecular Mass | 459.0808 |
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| SMILES | NCCOP(=O)(O)OP(=O)(O)OCC1OC(N2C=CCC(C(N)=O)=C2)C(O)C1O |
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| InChI Key | GEIQASKNJPPIPX-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesphosphoethanolaminesprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouppentose phosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotidecarboxylic acid derivativephosphoethanolaminesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofurancarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
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