| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:32 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252859 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N5O5S |
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| Molecular Mass | 369.1107 |
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| SMILES | NC(CCSCC1OC(n2ncc3cncnc32)C(O)C1O)C(=O)O |
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| InChI Key | PKRSANJUJAXXGX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrazolespyrazolo[3,4-d]pyrimidinespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundpyrazolepyrimidinesaccharideorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundazole1,2-diolpyrazolo[3,4-d]pyrimidinealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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