DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:32 UTC
Update Date	2025-03-25 00:51:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188853
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₄N₇O₁₀P
Molecular Mass	505.1322
SMILES	CC(O)C(NC(=O)CN)C(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	LAUXLEUKVIXTMS-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	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives dipeptides fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-acyl-alpha amino acids n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group pentose phosphate purine ribonucleoside monophosphate fatty amide monosaccharide pentose-5-phosphate n-arylamide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative alpha peptide pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group n-substituted-alpha-amino acid alpha-dipeptide oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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