DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:14:41 UTC
Update Date	2025-03-25 01:46:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02513404
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₉N₇O₂₃P₅+
Molecular Mass	889.9997
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5nncnc54)C(O)C3O)C(O)C2O)c1
InChI Key	WAKKNKVWBFQCCP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	pyridine nucleotides
Direct Parent	pyridine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2,4-triazines azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives pentose phosphate nicotinamide monosaccharide pentose-5-phosphate carboxylic acid derivative saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation organoheterocyclic compound azole n-substituted imidazole pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol triazine hydrocarbon derivative organic nitrogen compound 1,2,4-triazine organic phosphoric acid derivative alkyl phosphate organooxygen compound

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