| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:45 UTC |
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| Update Date | 2025-03-21 18:33:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094972 |
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| Frequency | 29.2 |
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| Structure | |
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| Chemical Formula | C15H21N5O5S |
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| Molecular Mass | 383.1263 |
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| SMILES | Nc1ncnc2c1ccn2C1OC(CSCCC(N)C(=O)O)C(O)C1O |
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| InChI Key | VIRPSVXGKGPXDV-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 | pyrrolopyrimidine nucleosides and nucleotides |
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| Subclass | pyrrolopyrimidine nucleosides and nucleotides |
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| Direct Parent | pyrrolopyrimidine nucleosides and nucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrimidines and pyrimidine derivativespyrrolo[2,3-d]pyrimidinessecondary alcoholssubstituted pyrrolessulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidmonosaccharidealpha-amino acid or derivativessubstituted pyrroleorganosulfur compoundcarboxylic acid derivativepyrimidinepyrrolopyrimidinesaccharideorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidimidolactamorganoheterocyclic compound1,2-diolalcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundpyrrolopyrimidine ribonucleosideoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherpyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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