| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:02 UTC |
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| Update Date | 2025-03-25 00:47:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160263 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N5O11P |
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| Molecular Mass | 439.074 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NC(OC1OC(COP(=O)(O)O)C(O)C(O)C1O)C(=O)N2 |
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| InChI Key | SQGAWYFDNCHCHN-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 | hexose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespterins and derivativespyrimidonessecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamamino acid or derivativespyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholvinylogous amidepterinazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacyclesecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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