DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:10 UTC
Update Date	2025-03-25 00:47:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160545
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₃N₆O₈P
Molecular Mass	494.1315
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC(=O)C(N)Cc2ccccc2)C(O)C1O
InChI Key	ZFNOOEXYTZPIQS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	5'-acylphosphoadenosines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols acyl phosphates alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phenylalanine and derivatives phosphoethanolamines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	monocyclic benzene moiety amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound 1,2-diol alcohol azacycle heteroaromatic compound monoalkyl phosphate hydrocarbon derivative primary aliphatic amine primary amine amine acyl phosphate carbonyl group pentose phosphate 5'-acylphosphoadenosine carboxylic acid derivative pyrimidine phosphoethanolamine 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 benzenoid purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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