DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:22 UTC
Update Date	2025-03-21 17:58:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00011677
Frequency	394.4
Structure
Chemical Formula	C₁₅H₂₂N₇O₁₀P
Molecular Mass	491.1166
SMILES	CC(O)C(NC(N)=O)C(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	ROQIASQYRWMQGF-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 fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-arylamides n-carbamoyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives 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 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 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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