DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:51 UTC
Update Date	2025-03-21 18:05:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057056
Frequency	55.7
Structure
Chemical Formula	C₁₁H₁₆N₄O₁₀P₂
Molecular Mass	426.0342
SMILES	Cn1cnc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c1=O
InChI Key	BZSMPHCIEBEJMV-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 hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates 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 organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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