DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:44:36 UTC
Update Date	2025-03-25 00:24:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01310178
Frequency	1.0
Structure
Chemical Formula	C₃₀H₄₀N₉O₁₉P₃
Molecular Mass	923.1653
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3CP(=O)(O)O)c2cc1C
InChI Key	UCJBLUGNQAWYFO-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	azacyclic compounds benzenoids diazanaphthalenes flavins heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates 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 pyrazines pyrimidones quinoxalines secondary alcohols tetrahydrofurans
Substituents	lactam pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pteridine isoalloxazine flavin pyrimidine saccharide organic oxide diazanaphthalene aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol quinoxaline carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrazine secondary alcohol hydrocarbon derivative benzenoid primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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