DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:22 UTC
Update Date	2025-03-21 18:35:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00103897
Frequency	26.1
Structure
Chemical Formula	C₁₀H₁₄N₄O₁₂P₂
Molecular Mass	444.0083
SMILES	O=c1[nH]c(=O)c2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)[nH]1
InChI Key	GCIRDYHTWBDBHA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	nucleoside and nucleotide analogues
Subclass	nucleoside and nucleotide analogues
Direct Parent	nucleoside and nucleotide analogues
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates purine 2',3'-dideoxyribonucleoside diphosphates purine 2'-deoxyribonucleoside diphosphates purine 3'-deoxyribonucleoside diphosphates purine nucleosides purine ribonucleoside diphosphates purinones pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine purine 2',3'-dideoxyribonucleoside diphosphate purinone pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID00103897