| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:58 UTC |
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| Update Date | 2025-03-21 18:36:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112682 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C10H14N3O9P |
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| Molecular Mass | 351.0468 |
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| SMILES | NC(=O)c1cc(=O)[nH]c(=O)n1C1CC(O)C(COP(=O)(O)O)O1 |
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| InChI Key | NDHDVQDKUWBIBC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | pyrimidine nucleotides |
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| Subclass | pyrimidine deoxyribonucleotides |
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| Direct Parent | pyrimidine 2'-deoxyribonucleoside monophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyrimidinecarboxylic acids and derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidelactamaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidonecarboxylic acid derivative2-heteroaryl carboxamidepyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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