DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:44 UTC
Update Date	2025-03-25 00:51:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189313
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₂N₆O₁₃P₂
Molecular Mass	626.1503
SMILES	CC(C)CC(NC(=O)C(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(=O)O
InChI Key	FURDRDOZQRLRDY-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	1,2-diols alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams leucine and derivatives monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives 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 alpha-amino acid or derivatives imidazopyrimidine saccharide purine ribonucleoside diphosphate organonitrogen compound alpha-amino acid organoheterocyclic compound 1,2-diol n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole leucine or derivatives organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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