DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 05:58:53 UTC
Update Date	2025-03-24 16:35:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00911634
Frequency	1.6
Structure
Chemical Formula	C₂₇H₄₀N₇O₂₀P₃
Molecular Mass	875.1541
SMILES	CC(O)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O)C(O)C(=O)OCC1OC(N2C=CCC(C(N)=O)=C2)C(O)C1O
InChI Key	CVZTXERUYKRKDU-UHFFFAOYSA-N
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 acid esters dihydropyridines enamines fatty acid esters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tertiary alcohols tetrahydrofurans vinylogous amides
Substituents	amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine saccharide organonitrogen compound organophosphorus compound dihydropyridine organophosphonic acid derivative organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate fatty acid ester monoalkyl phosphate carboxylic acid ester hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide fatty acyl carbonyl group pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group n-substituted nicotinamide oxacycle tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID00911634