| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:21 UTC |
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| Update Date | 2025-03-21 18:31:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086930 |
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| Frequency | 32.8 |
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| Structure | |
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| Chemical Formula | C14H22N2O16P2 |
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| Molecular Mass | 536.0445 |
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| SMILES | O=C(CO)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | ALSUIPRIPTVBJJ-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 ribonucleotides |
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| Direct Parent | pyrimidine ribonucleoside diphosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesazacyclic compoundsbeta-hydroxy ketonesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | beta-hydroxy ketonecarbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatemonosaccharidepyrimidonealpha-hydroxy ketonepyrimidineketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclepyrimidine ribonucleoside diphosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphateacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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