DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-21 00:17:40 UTC
Update Date	2025-03-21 18:35:14 UTC
HMDB ID	HMDB0059593
Metabolite Identification
DeepMet ID	DMID00104625
Name	2-hydroxy-dATP
Frequency	32.5
Structure
Chemical Formula	C₁₀H₁₆N₅O₁₃P₃
Molecular Mass	506.9957
SMILES	Nc1nc(O)nc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1
InChI Key	UOACBPRDWRDEHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyrimidines imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate hydroxypyrimidine imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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