DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:55:20 UTC
Update Date	2025-03-25 00:30:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02051004
Frequency	0.6
Structure
Chemical Formula	C₄₆H₈₃N₆O₁₄P₃
Molecular Mass	1036.518
SMILES	CCCCCCC=CCCCCCCCC(=O)NC(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O)C(O)CCCCCCCC=CCCCCCCC
InChI Key	YFZCSXJNKFKEDD-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 and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-acyl amines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group pentose phosphate amino acid or derivatives fatty amide imidazopyrimidine carboxylic acid derivative pyrimidine phosphoethanolamine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate carboxamide group n-acyl-amine organic pyrophosphate oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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