DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:59:43 UTC
Update Date	2025-03-25 01:15:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02338677
Frequency	0.5
Structure
Chemical Formula	C₂₄H₃₂N₉O₂₃P₃
Molecular Mass	907.0824
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3c(N)c(C(=O)NC(CC(=O)O)C(=O)O)c(=O)[nH]c3=O)C(O)C2O)C(O)C1O
InChI Key	ABKITFQBZHXVTK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidine ribonucleoside triphosphates pyrimidinecarboxylic acids and derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyrimidine ribonucleoside triphosphate lactam carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid purine ribonucleoside triphosphate organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives secondary carboxylic acid amide monoalkyl phosphate aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine carbonyl group pentose phosphate amino acid pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole carbonic acid derivative tetrahydrofuran carboxamide group oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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