DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:47 UTC
Update Date	2025-03-25 00:54:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205313
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₃N₆O₉P
Molecular Mass	510.1264
SMILES	NC(Cc1ccc(O)cc1)C(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	OWMDGUHOZNBRAZ-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	1,2-diols 1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives 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 phenylalanine and derivatives purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans tyrosine and derivatives
Substituents	monocyclic benzene moiety purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound 1,2-diol alcohol tyrosine or derivatives alpha-amino acid amide azacycle heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate phenol hydrocarbon derivative primary aliphatic amine fatty acyl carbonyl group pentose phosphate fatty amide 1-hydroxy-2-unsubstituted benzenoid n-arylamide carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam amphetamine or derivatives azole n-substituted imidazole tetrahydrofuran carboxamide group oxacycle phenylalanine or derivatives organic oxygen compound phosphoric acid ester secondary alcohol benzenoid purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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