DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:53 UTC
Update Date	2025-03-25 00:54:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207838
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₄N₆O₁₁P₂
Molecular Mass	526.0978
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OCCC(N)C(=O)O)C(CP(=O)(O)O)C1O
InChI Key	LTCCNEANHGSLKZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate amino acid or derivatives amino acid alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle dialkyl phosphate monocarboxylic acid or derivatives phosphoric acid ester secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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