DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:08 UTC
Update Date	2025-03-25 00:51:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02190194
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₅N₆O₉P
Molecular Mass	488.1421
SMILES	CC(=O)NC(C(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O)C(C)C
InChI Key	AGDSUNOHHXYMQT-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 acetamides alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates 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 valine and derivatives
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 pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound acetamide azole 1,2-diol n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid tetrahydrofuran valine or derivatives heteroaromatic compound carboxamide group n-substituted-alpha-amino acid oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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