DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:06 UTC
Update Date	2025-03-25 00:51:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185552
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₃N₅O₂₁P₂
Molecular Mass	765.1143
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OC2OC(CO)C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)C2O)C(O)C1O
InChI Key	LWPBLEXGBNCWDG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetals amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyran carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate o-glucuronide monosaccharide pentose-5-phosphate imidazopyrimidine pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid purine ribonucleoside diphosphate acetal organonitrogen compound oxane organoheterocyclic compound alcohol azacycle heteroaromatic compound organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid oxacycle monocarboxylic acid or derivatives phosphoric acid ester pyran secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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