| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:55 UTC |
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| Update Date | 2025-03-25 00:56:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217330 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N5O15P2 |
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| Molecular Mass | 587.0666 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(OCC2OC(=O)C(O)C(O)C2O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | BGWWUXKOCAXCKI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | monosaccharides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acid estersdelta valerolactonesdialkyl phosphatesgluconolactonesheteroaromatic compoundshexose phosphateshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary aminespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl grouppentose phosphateamino acid or derivativesdelta valerolactonepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinecarboxylic acid derivativepyrimidinelactoneorganic oxidepurine ribonucleoside diphosphategluconolactonearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneimidolactamdelta_valerolactoneorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacycledialkyl phosphatemonocarboxylic acid or derivativesphosphoric acid estercarboxylic acid estersecondary alcoholhexose phosphatehydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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