DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:09 UTC
Update Date	2025-03-21 18:30:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00081766
Frequency	35.4
Structure
Chemical Formula	C₁₉H₂₄N₆O₁₂P₂
Molecular Mass	590.0927
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)Oc2ccc(CC(N)C(=O)O)cc2)C(O)C1O
InChI Key	BJHJUWYFVXSGMO-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 amphetamines and derivatives azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates phenoxy compounds phenylalanine and derivatives phenylpropanoic acids purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	monocyclic benzene moiety 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 alcohol azacycle heteroaromatic compound organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary aliphatic amine primary amine phenoxy compound amine carbonyl group 3-phenylpropanoic-acid pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam amphetamine or derivatives azole n-substituted imidazole tetrahydrofuran oxacycle monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine benzenoid organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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