| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:48 UTC |
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| Update Date | 2025-03-25 00:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178110 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N4O7P2S+ |
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| Molecular Mass | 425.0444 |
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| SMILES | Cc1nc(N)ncc1C[n+]1csc(CCOP(=O)(O)OP(=O)(O)O)c1C |
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| InChI Key | ATKOLDSMGYYIEK-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 | 4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic pyrophosphate4,5-disubstituted 1,3-thiazolepyrimidineorganic oxidephosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationthiazoleorganic phosphoric acid derivativeaminealkyl phosphateorganoheterocyclic compoundorganooxygen compoundazole |
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