| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:22 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220728 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23NO9P+ |
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| Molecular Mass | 392.1105 |
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| SMILES | O=C(O)CCCCc1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1 |
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| InChI Key | OCMVILSBQWOLEG-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 | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatessecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatefatty acidcarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganoheterocyclic compound1,2-diolpyridine nucleotidealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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