| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:44:24 UTC |
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| Update Date | 2025-03-24 20:52:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01596431 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C24H34N9O22P3 |
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| Molecular Mass | 893.1031 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc(C(=O)NC(CC(=O)O)C(=O)O)c3N)C(O)C(O)C2O)C(O)C1O |
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| InChI Key | PZSJVJCLKNWKNL-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 | 2-heteroaryl carboxamidesalpha amino acidsamino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshexose phosphateshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary aminespurine ribonucleoside monophosphatespurine ribonucleoside triphosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatealpha-amino acid or derivativesimidazopyrimidine2-heteroaryl carboxamideorganonitrogen compoundalpha-amino acidoxanepurine ribonucleoside triphosphateorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundsecondary carboxylic acid amidemonoalkyl phosphateaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineaminecarbonyl grouppentose phosphateamino acidcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidazole-4-carbonyl groupimidolactamazolen-substituted imidazoletetrahydrofurancarboxamide groupoxacyclephosphoric acid estersecondary alcoholhexose phosphatepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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