| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:12 UTC |
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| Update Date | 2025-03-25 00:50:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178950 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N4O5S |
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| Molecular Mass | 314.0685 |
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| SMILES | CSCC1OC(n2cnc3c(=O)nc(N)oc32)C(O)C1O |
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| InChI Key | BSJOHQMNARXPIS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | imidazoles |
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| Direct Parent | n-substituted imidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | monosaccharideorganosulfur compoundsaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-dioln-substituted imidazolealcoholvinylogous amidesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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