| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:02 UTC |
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| Update Date | 2025-03-21 18:07:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069441 |
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| Frequency | 43.5 |
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| Structure | |
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| Chemical Formula | C6H9N2O6PS |
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| Molecular Mass | 267.9919 |
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| SMILES | O=C(O)C(Cc1c[nH]c(=S)[nH]1)OP(=O)(O)O |
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| InChI Key | ZCGDKPZGPSXHQU-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 | organic phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | monoalkyl phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundimidazole-2-thioneorganosulfur compoundcarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundmonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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