DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:12 UTC
Update Date	2025-03-25 00:53:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199403
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₉N₇O₁₅P₂
Molecular Mass	681.1197
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)OC3CO)C(O)C2O)C=CC1
InChI Key	GBQHXLPERJRDGD-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 heteropolycyclic compounds
Alternative Parents	1,3-dioxolanes amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines primary carboxylic acid amides purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine saccharide organonitrogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate monoalkyl phosphate hypoxanthine hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide meta-dioxolane carbonyl group pentose phosphate pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol azole n-substituted imidazole tetrahydrofuran carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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