| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:47 UTC |
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| Update Date | 2025-03-21 18:38:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119506 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C12H17N2O11P |
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| Molecular Mass | 396.057 |
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| SMILES | O=C(O)C(O)COP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O |
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| InChI Key | VMUDNLRHZIIQHL-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 hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholssugar acids and derivativestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatealpha-hydroxy acidmonosaccharidepyrimidonecarboxylic acid derivativepyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatesaccharideorganic oxideglyceric_acidorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxy acidoxacycledialkyl phosphatemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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