| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:41 UTC |
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| Update Date | 2025-03-25 00:51:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186920 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N4O12P |
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| Molecular Mass | 454.0737 |
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| SMILES | Nc1[nH]c(=O)n(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)c1C(=O)CC(N)C(=O)O |
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| InChI Key | HIVIZLGCWHOBIE-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 monophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundpentose phosphateamino acid or derivativesamino acidmonosaccharidepentose-5-phosphatepyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundgamma-keto acidoxacyclepyrimidine ribonucleoside monophosphatemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphateketo acidsecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compoundaryl ketone |
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