DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:37 UTC
Update Date	2025-03-21 18:40:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00130944
Frequency	19.4
Structure
Chemical Formula	C₁₉H₂₄N₇O₁₄P₂+
Molecular Mass	636.0851
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)O3)C(O)C2O)c1
InChI Key	CQSZBMCTLDCXNM-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-diols amino acids and derivatives azacyclic compounds carboxylic acids and derivatives dioxetanes heteroaromatic compounds hydrocarbon derivatives hydroxypyridines hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives lactam amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine saccharide organonitrogen compound organoheterocyclic compound 1,2-diol pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate pyridine monoalkyl phosphate hypoxanthine hydrocarbon derivative primary amine amine primary carboxylic acid amide pentose phosphate pyrimidone carboxylic acid derivative 1,3-dioxetane pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation azole n-substituted imidazole tetrahydrofuran hydroxypyridine carboxamide group oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID00130944