| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:12:15 UTC |
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| Update Date | 2025-03-24 21:31:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01806621 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C28H46N4O21P4S |
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| Molecular Mass | 930.1326 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O |
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| InChI Key | GDQXRDZCDOMYDX-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 polyphosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbeta amino acids and derivativescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesfatty acyl thioestersheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstetrahydrofuransthioestersthiolactonesvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatefatty amidemonosaccharidepyrimidoneorganosulfur compoundcarboxylic acid derivativepyrimidinecarbothioic s-estersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundfatty acyl thioesterthiolactoneorganoheterocyclic compoundalcoholvinylogous amidethiocarboxylic acid or derivativescarbonic acid derivativesulfenyl compoundazacycletetrahydrofuranthiocarboxylic acid esterheteroaromatic compoundcarboxamide groupn-acyl-aminebeta amino acid or derivativesoxacyclesecondary carboxylic acid amideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepyrimidine 2'-deoxyribonucleoside polyphosphateorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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