DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:49:14 UTC
Update Date	2025-03-24 20:54:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01607548
Frequency	0.8
Structure
Chemical Formula	C₂₇H₃₉N₈O₂₃P₃
Molecular Mass	936.1341
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(CO)C(O)C1O
InChI Key	ZJAGLZLVQNHWOY-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 lactams monoalkyl phosphates monosaccharides n-acyl-alpha-hexosamines n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	lactam amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine saccharide organonitrogen compound oxane organoheterocyclic compound acetamide alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group pentose phosphate pyrimidone carboxylic acid derivative pyrimidine n-acyl-alpha-hexosamine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole ribonucleoside 3'-phosphate carbonic acid derivative tetrahydrofuran carboxamide group oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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