| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:01 UTC |
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| Update Date | 2025-03-21 18:37:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117669 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C9H13N4O9P |
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| Molecular Mass | 352.042 |
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| SMILES | NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1 |
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| InChI Key | XZPHDMICLMCYJT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativeshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alcoholstetrahydrofuranstriazinones |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatecarboxylic acid derivative2-heteroaryl carboxamideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclephosphoric acid esterhalo-s-triazinemonoalkyl phosphatesecondary alcoholtriazinehydrocarbon derivative1,3,5-triazineorganic nitrogen compoundorganic phosphoric acid derivativetriazinonealkyl phosphate |
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