DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:52 UTC
Update Date	2025-03-25 00:50:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178247
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₀N₅O₁₂P
Molecular Mass	575.1629
SMILES	Cn1c(=N)ccn(C2OC(COP(=O)(O)OCC3OC(N4C=CCC(C(N)=O)=C4)C(O)C3O)C(O)C2O)c1=O
InChI Key	ZJARKTVBHFVBJW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinamide nucleotides
Direct Parent	nicotinamide nucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl phosphates dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides n-substituted nicotinamides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides pyrimidine ribonucleoside monophosphates pyrimidones secondary alcohols tetrahydrofurans ureas vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate pyrimidone nicotinamide-nucleotide carboxylic acid derivative pyrimidine urea saccharide organic oxide organonitrogen compound organopnictogen compound dihydropyridine imidolactam organoheterocyclic compound alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-substituted nicotinamide oxacycle dialkyl phosphate pyrimidine ribonucleoside monophosphate organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound enamine

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