DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:50 UTC
Update Date	2025-03-25 00:55:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02210110
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₂N₆O₁₂P₂
Molecular Mass	528.0771
SMILES	CC(O)C(N)C(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1OP(=O)(O)O
InChI Key	NXRHDWIAFCXTOT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside 2',5'-bisphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group pentose phosphate purine ribonucleoside monophosphate fatty amide monosaccharide pentose-5-phosphate n-arylamide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole purine ribonucleoside 2',5'-bisphosphate organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol alpha-amino acid amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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