DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:45 UTC
Update Date	2025-03-21 18:05:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056827
Frequency	56.0
Structure
Chemical Formula	C₁₉H₂₃N₆O₉P
Molecular Mass	510.1264
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)Oc2ccc(CC(N)C(=O)O)cc2)C(O)C1O
InChI Key	QJULNICNAMKULF-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 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 organopnictogen compounds oxacyclic compounds pentose phosphates phenoxy compounds phenylalanine and derivatives phenylpropanoic acids 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 organonitrogen compound alpha-amino acid organoheterocyclic compound 1,2-diol alcohol azacycle heteroaromatic compound 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 benzenoid purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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