DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:37 UTC
Update Date	2025-03-21 18:06:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00066011
Frequency	46.3
Structure
Chemical Formula	C₂₁H₃₁N₆O₁₅P
Molecular Mass	638.1585
SMILES	CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)COP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	QTDDLDQBVXDHDP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides alpha hydroxy acids and derivatives amino acids azacyclic compounds c-glucuronides carbonyl compounds carboxylic acids dialkyl phosphates hemiacetals heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyran carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyran carboxylic acid organonitrogen compound hemiacetal oxane organoheterocyclic compound acetamide c-glucuronide alcohol azacycle heteroaromatic compound secondary carboxylic acid amide hydrocarbon derivative primary amine amine carbonyl group pentose phosphate amino acid alpha-hydroxy acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid carboxamide group oxacycle dialkyl phosphate monocarboxylic acid or derivatives phosphoric acid ester pyran secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

Showing information for DMID00066011