DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:18 UTC
Update Date	2025-03-21 18:06:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00060517
Frequency	51.7
Structure
Chemical Formula	C₁₉H₂₅N₇O₁₃P₂
Molecular Mass	621.0986
SMILES	Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)CC2O)O1
InChI Key	JJFLUNKBDCBLHP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 2'-deoxyribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate monosaccharide pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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