DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:45 UTC
Update Date	2025-03-25 00:46:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152873
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₆N₇O₁₀P
Molecular Mass	473.0696
SMILES	NC(=O)NC(C(=O)O)C(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O
InChI Key	VQYJDBIWGYCQHE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	cyclic purine nucleotides
Direct Parent	3',5'-cyclic purine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha amino acid amides alpha amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-arylamides n-carbamoyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate monosaccharide n-arylamide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative alpha-amino acid amide azacycle tetrahydrofuran n-carbamoyl-alpha-amino acid heteroaromatic compound 3',5'-cyclic purine ribonucleotide carboxamide group n-substituted-alpha-amino acid oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound 1,3-dicarbonyl compound organic phosphoric acid derivative organooxygen compound

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