DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:45:05 UTC
Update Date	2025-03-24 20:27:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01454208
Frequency	0.9
Structure
Chemical Formula	C₄₃H₇₆N₆O₁₇P₂
Molecular Mass	1010.4742
SMILES	CCCCCCCCCCCC(O)CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(CO)C1OC(=O)CC(O)CCCCCCCCCCC
InChI Key	NXRYIYFPHLQRKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters fatty acid esters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl amines n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine beta-hydroxy acid saccharide purine ribonucleoside diphosphate organonitrogen compound organoheterocyclic compound alcohol azacycle heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide fatty acid ester monoalkyl phosphate carboxylic acid ester hydrocarbon derivative primary amine amine fatty acyl carbonyl group pentose phosphate fatty amide carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran hydroxy acid carboxamide group n-acyl-amine 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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