| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:18 UTC |
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| Update Date | 2025-03-25 00:57:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225087 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N4O13P2 |
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| Molecular Mass | 492.0659 |
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| SMILES | Nc1ccn(C2OC(CO[PH](O)(O)OP(=O)(O)OCC(N)C(=O)O)C(O)C2O)c(=O)n1 |
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| InChI Key | VSRVMNVCTMLIML-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 | pyrimidine nucleosides |
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| Subclass | pyrimidine nucleosides |
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| Direct Parent | pyrimidine nucleosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphosphoethanolaminespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidmonosaccharidepyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidinephosphoethanolaminesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrimidine nucleosideimidolactamorganoheterocyclic compound1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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