| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:02 UTC |
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| Update Date | 2025-03-25 00:54:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205906 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12N4O8P2 |
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| Molecular Mass | 330.013 |
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| SMILES | NC(=O)c1ncn(CCOP(=O)(O)OP(=O)(O)O)c1N |
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| InChI Key | LRHVNDYVSGBARO-UHFFFAOYSA-N |
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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 | 2-heteroaryl carboxamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganopnictogen compoundsprimary aminesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivative2-heteroaryl carboxamideorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolen-substituted imidazolevinylogous amideazacycleheteroaromatic compoundcarboxamide grouporganic pyrophosphatephosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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