DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:23 UTC
Update Date	2025-03-21 18:06:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00060724
Frequency	51.5
Structure
Chemical Formula	C₂₁H₃₂N₆O₁₈P₂
Molecular Mass	718.1248
SMILES	CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	VAZQRLSATWYZPW-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	acetamides alpha hydroxy acids and derivatives amino acids azacyclic compounds c-glucuronides carbonyl compounds carboxylic acids hemiacetals heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyran carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyran carboxylic acid saccharide purine ribonucleoside diphosphate organonitrogen compound hemiacetal oxane organoheterocyclic compound acetamide c-glucuronide alcohol azacycle heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group pentose phosphate amino acid alpha-hydroxy acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid carboxamide group oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester pyran secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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