DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:42:12 UTC
Update Date	2025-03-24 22:11:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02019839
Frequency	0.6
Structure
Chemical Formula	C₃₅H₅₅N₈O₁₅P₂+
Molecular Mass	889.3257
SMILES	CCCCCCCCCCCC(O)CC(=O)NC1C(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3cccc(C(N)=O)c3)C(O)C2O)OC(n2cnc3c(N)ncnc32)C1O
InChI Key	HKHUNQYYKSJQBH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 3'-deoxyribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams methylpyridines monoalkyl phosphates monosaccharides n-acyl amines 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 pyridine nucleotides pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine saccharide organonitrogen compound organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate secondary carboxylic acid amide pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine primary carboxylic acid amide fatty acyl carbonyl group pentose phosphate fatty amide carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine methylpyridine carboxamide group n-acyl-amine 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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