| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:41 UTC |
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| Update Date | 2025-03-21 18:29:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075747 |
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| Frequency | 39.0 |
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| Structure | |
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| Chemical Formula | C12H19N2O8P |
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| Molecular Mass | 350.0879 |
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| SMILES | NC(=O)C1=CN(C2C(O)C(O)C(COP(=O)(O)O)C2O)C=CC1 |
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| InChI Key | MNCVFCQYIFJALF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | n-substituted nicotinamides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsamino acids and derivativesaminocyclitols and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativescyclopentanolsdihydropyridinesenamineshydrocarbon derivativesmonoalkyl phosphatesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupamino acid or derivativescarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridinetertiary amineaminocyclitol or derivativesalcoholvinylogous amideazacycle1,2-aminoalcoholtertiary aliphatic aminecyclitol or derivativescyclic alcoholcarboxamide groupcyclopentanoln-substituted nicotinamideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compoundenamine |
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