DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:43 UTC
Update Date	2025-03-21 18:39:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00123957
Frequency	20.8
Structure
Chemical Formula	C₁₈H₂₈N₆O₁₅P₂
Molecular Mass	630.1088
SMILES	CC(=O)NC1C(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)OC(CO)C(O)C1O
InChI Key	WUMHODMWLIKSAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl-alpha-hexosamines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside 3',5'-bisphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative n-acyl-alpha-hexosamine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide dialkyl phosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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