DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:28 UTC
Update Date	2025-03-25 00:50:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02181861
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉N₅O₁₂P₂
Molecular Mass	499.0505
SMILES	O=C(O)C(CO)Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1
InChI Key	WROPRMCBZZSSMP-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	alpha amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines serine and derivatives tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxy acid secondary amine purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound serine or derivatives organic phosphoric acid derivative alkyl phosphate organooxygen compound amine

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