DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:38 UTC
Update Date	2025-03-25 00:59:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237028
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₈N₇O₁₉P₃
Molecular Mass	775.0653
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3c(C(=O)O)cc(=O)[nH]c3=O)C(O)C2O)C(CP(=O)(O)O)C1O
InChI Key	ZXIKTKFTLIVYCU-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	amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidine ribonucleoside diphosphates pyrimidinecarboxylic acids pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam carboxylic acid amino acid or derivatives monosaccharide pentose-5-phosphate imidazopyrimidine saccharide organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate pyrimidine ribonucleoside diphosphate monoalkyl phosphate hydrocarbon derivative primary amine pyrimidine-6-carboxylic acid or derivatives amine pentose phosphate amino acid pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam pyrimidine-6-carboxylic acid azole n-substituted imidazole carbonic acid derivative tetrahydrofuran oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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