DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:07 UTC
Update Date	2025-03-25 00:51:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185563
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₂N₆O₁₂P₂
Molecular Mass	528.0771
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(N)C(=O)O)C(CO)C1O
InChI Key	AQJVMIHKELQRHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 3'-deoxyribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate amino acid or derivatives amino acid alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine phosphoethanolamine 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 purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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