DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:20:12 UTC
Update Date	2025-03-25 01:23:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02385808
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₁N₆O₂₅P₅
Molecular Mass	898.0027
SMILES	CC(=O)NC1C(O)CC(O)(C(=O)O)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	WUWZDCBWUHCXEG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides alpha hydroxy acids and derivatives amino acids azacyclic compounds carbonyl compounds carboxylic acids hemiacetals heteroaromatic compounds hexose phosphates hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines 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 organonitrogen compound hemiacetal oxane organoheterocyclic compound acetamide alcohol azacycle heteroaromatic compound 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 hexose phosphate purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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