| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:00 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155818 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H33N7O12P2S |
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| Molecular Mass | 645.1383 |
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| SMILES | CSCCNc1nc(NCCCCC(N)C(=O)O)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | QQNRRHNXCDBJDR-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 | purine nucleotides |
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| Subclass | purine ribonucleotides |
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| Direct Parent | purine ribonucleoside diphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidazolesimidolactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | carboxylic acidamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatealpha-amino acid or derivativesimidazopyrimidinemedium-chain hydroxy acidsaccharidepurine ribonucleoside diphosphateorganonitrogen compoundalpha-amino acidhydroxy fatty acidorganoheterocyclic compound1,2-diolalcoholsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic pyrophosphatesecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeprimary aliphatic amineaminefatty acylcarbonyl grouppentose phosphateamino acidfatty acidorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundmedium-chain fatty acidimidolactamazolen-substituted imidazoletetrahydrofuransecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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