| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:39 UTC |
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| Update Date | 2025-03-21 18:03:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047352 |
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| Frequency | 70.4 |
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| Structure | |
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| Chemical Formula | C12H16N6O5S |
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| Molecular Mass | 356.0903 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(SCC(N)C(=O)O)C(O)C1O |
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| InChI Key | DTWBMMCSKUEPNM-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesmonothioacetalsn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acidmonosaccharideimidazopyrimidineorganosulfur compoundpyrimidinemonothioacetalsaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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