DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:13 UTC
Update Date	2025-03-21 18:36:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00113280
Frequency	23.4
Structure
Chemical Formula	C₁₃H₂₀N₅O₁₆P₃
Molecular Mass	595.0118
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC(=O)C(O)COP(=O)(O)OP(=O)(O)O)C(O)C1O
InChI Key	QRYGKXPFHJERTI-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	5'-acylphosphoadenosines acyl phosphates amino acids and derivatives azacyclic compounds carbonyl compounds 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 amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine 5'-acylphosphoadenosine carboxylic acid derivative pyrimidine organic oxide glyceric_acid aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 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 acyl phosphate

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