DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:02 UTC
Update Date	2025-03-21 18:31:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00086201
Frequency	33.1
Structure
Chemical Formula	C₈H₁₃N₄O₈P
Molecular Mass	324.0471
SMILES	Nc1cnn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1
InChI Key	XGRBKAMQTPFVLH-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 heteromonocyclic compounds
Alternative Parents	1,2,4-triazines 1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary amines secondary alcohols tetrahydrofurans
Substituents	aromatic heteromonocyclic compound pentose phosphate pentose-5-phosphate organic oxide organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound 1,2-diol alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound oxacycle phosphoric acid ester monoalkyl phosphate secondary alcohol triazine hydrocarbon derivative primary amine organic nitrogen compound 1,2,4-triazine organic phosphoric acid derivative amine alkyl phosphate

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