DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:08 UTC
Update Date	2025-03-25 00:51:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185606
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₁N₆O₁₁P₂+
Molecular Mass	499.0738
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OCC[N+](=O)O)C(CP(=O)(O)O)C1O
InChI Key	QQAGNGLNWTWSLR-UHFFFAOYSA-O
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	azacyclic compounds c-nitro compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams n-substituted imidazoles organic oxides organic oxoanionic compounds organic oxoazanium compounds organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds primary amines propargyl-type 1,3-dipolar organic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate allyl-type 1,3-dipolar organic compound imidazopyrimidine organic nitro compound pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound imidazole c-nitro compound organonitrogen compound organopnictogen compound organophosphorus compound organic oxoazanium imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound organic 1,3-dipolar compound oxacycle dialkyl phosphate phosphoric acid ester secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organic hyponitrite

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