DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:36 UTC
Update Date	2025-03-25 00:56:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221261
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₆O₁₅P₂
Molecular Mass	586.0462
SMILES	O=C(O)CC(NC(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O)C(=O)O
InChI Key	GRFDLBYCHNJMQI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-carbamoyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol carbonic acid derivative azacycle tetrahydrofuran n-carbamoyl-alpha-amino acid heteroaromatic compound organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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