| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:40 UTC |
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| Update Date | 2025-03-25 00:51:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N3O9PS |
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| Molecular Mass | 425.0658 |
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| SMILES | NC(CCSCC1OC(n2ccc(=O)[nH]c2=O)CC1OP(=O)(O)O)C(=O)O |
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| InChI Key | MUELREGGZVHFQN-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 | ribonucleoside 3'-phosphates |
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| Subclass | ribonucleoside 3'-phosphates |
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| Direct Parent | ribonucleoside 3'-phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessulfenyl compoundstetrahydrofuransthia fatty acidsvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundribonucleoside 3'-phosphatevinylogous amidecarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundphosphoric acid esterthioethermonoalkyl phosphatehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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