DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:26:54 UTC
Update Date	2025-03-25 01:26:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02401320
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₃N₉O₂₂P₄
Molecular Mass	899.0691
SMILES	CC(NC(=O)c1ncn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1N)C(=O)O
InChI Key	GHVOESFACJRLPK-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	1-ribosyl-imidazolecarboxamides 2-heteroaryl carboxamides alanine and derivatives alpha amino acids amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine 2-heteroaryl carboxamide saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group imidazole ribonucleoside pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidazole-4-carbonyl group imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol alanine or derivatives purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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