DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:53 UTC
Update Date	2025-03-21 18:05:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00059503
Frequency	52.8
Structure
Chemical Formula	C₁₄H₂₁N₆O₉P
Molecular Mass	448.1108
SMILES	CC(O)C(N)C(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	JNHQLAFISZYZGN-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 monoalkylamines monosaccharides 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
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 azole n-substituted imidazole alcohol alpha-amino acid amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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