| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:51 UTC |
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| Update Date | 2025-03-25 00:48:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166728 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N4O8P |
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| Molecular Mass | 392.1097 |
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| SMILES | CC(=O)NCCOP(=O)(O)OCC1OC(n2ccc(N)nc2=O)CC1O |
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| InChI Key | XCGOGQRSHJGXBQ-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 | acetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesphosphoethanolaminesprimary aminespyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundpentose phosphateamino acid or derivativesmonosaccharidepyrimidonecarboxylic acid derivativepyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatephosphoethanolaminesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundacetamidealcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidedialkyl phosphateorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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