DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:32 UTC
Update Date	2025-03-21 18:31:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00087320
Frequency	32.6
Structure
Chemical Formula	C₁₅H₂₀N₇O₉P
Molecular Mass	473.106
SMILES	CC(O)C(NC(N)=O)C(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O
InChI Key	ZUYVVHKEHXNROA-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	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams 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	fatty acyl carbonyl group pentose phosphate fatty amide 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 organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative organooxygen compound

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