DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:43 UTC
Update Date	2025-03-21 18:01:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00035455
Frequency	100.6
Structure
Chemical Formula	C₁₃H₁₉N₅O₁₃P₂
Molecular Mass	515.0455
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OC(CO)C(=O)O)C(O)C1O
InChI Key	GFXBLCMZRXOPDB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	sugar acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate amino acid or derivatives amino acid purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine beta-hydroxy acid organic oxide purine ribonucleoside diphosphate glyceric_acid aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxy acid organic pyrophosphate oxacycle monocarboxylic acid or derivatives phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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