DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:26:11 UTC
Update Date	2025-03-25 01:26:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02399598
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₀N₆O₂₅P₅+
Molecular Mass	920.9943
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC([n+]4cccc(C(=O)O)c4)C(O)C3O)C(O)C2O)c(=O)[nH]1
InChI Key	CMMUXGPZSHLFFS-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	amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines hypoxanthines imidazoles lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles nicotinic acid nucleotides organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyridine-3-carboxylic acids pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives lactam carboxylic acid amino acid or derivatives pyridine-3-carboxylic acid purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine saccharide organonitrogen compound organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound pyridine monoalkyl phosphate pyridine carboxylic acid hypoxanthine hydrocarbon derivative primary amine amine pentose phosphate amino acid pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation azole n-substituted imidazole tetrahydrofuran hydroxypyridine nicotinic-acid-nucleotide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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