| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:46 UTC |
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| Update Date | 2025-03-25 00:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226106 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H31N5O15P2 |
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| Molecular Mass | 667.1292 |
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| SMILES | CC(=O)NC1CC(n2ccc(=O)[nH]c2=O)OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=CCC(C(N)=O)=C2)C(O)C1O |
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| InChI Key | IWBBBUKGRWLZTF-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 | 1,2-diolsacetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatepyrimidonenicotinamide-nucleotidecarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compounddihydropyridineorganoheterocyclic compoundacetamide1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacyclesecondary carboxylic acid amideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
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