| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:51 UTC |
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| Update Date | 2025-03-25 00:54:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207752 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15N6O7P2S+ |
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| Molecular Mass | 413.0193 |
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| SMILES | Nc1ncnc(N)c1C[n+]1csc(CCOP(=O)(O)OP(=O)(O)O)n1 |
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| InChI Key | HONPEIYKILMBFQ-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativesthiadiazoles |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic pyrophosphatethiadiazolepyrimidineorganic oxidephosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationimidolactamorganic phosphoric acid derivativeaminealkyl phosphateorganoheterocyclic compoundorganooxygen compoundazole |
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