| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:10 UTC |
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| Update Date | 2025-03-25 00:48:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167434 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H28N3O19P3 |
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| Molecular Mass | 671.053 |
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| SMILES | CC(=O)NC1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)CC2O)C(O)C(O)C1O |
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| InChI Key | LYYIPRTXKRXUMT-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 triphosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshexose phosphateshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatespyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidonecarboxylic acid derivativepyrimidinepyrimidine 2'-deoxyribonucleoside triphosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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