| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:50 UTC |
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| Update Date | 2025-03-25 00:45:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150766 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N3O13P |
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| Molecular Mass | 467.0577 |
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| SMILES | O=C(O)CC(NC(=O)c1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O)C(=O)O |
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| InChI Key | OHBXQZOCUOMNTN-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 | alpha amino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidinecarboxylic acids and derivativespyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholvinylogous amidecarbonic acid derivativeazacyclen-acyl-alpha-amino acidtetrahydrofuranheteroaromatic compoundpyrimidine-5-carboxylic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundphosphoric acid estermonoalkyl phosphateaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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