DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:38 UTC
Update Date	2025-03-25 00:54:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207241
Frequency	0.5
Structure
Chemical Formula	C₈H₁₆N₆O₇P+
Molecular Mass	339.0813
SMILES	Nc1nc(N)[n+](C2OC(COP(=O)(O)O)C(O)C2O)c(N)n1
InChI Key	CCKYFRUMGKEWAA-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 heteromonocyclic compounds
Alternative Parents	1,2-diols aminotriazines azacyclic compounds halo-s-triazines heteroaromatic compounds hydrocarbon derivatives monoalkyl phosphates monosaccharides organic cations organic oxides organopnictogen compounds oxacyclic compounds primary amines secondary alcohols tetrahydrofurans
Substituents	amino-1,3,5-triazine aromatic heteromonocyclic compound pentose phosphate pentose-5-phosphate organic oxide organonitrogen compound organopnictogen compound organic cation organoheterocyclic compound 1,2-diol alcohol azacycle tetrahydrofuran aminotriazine heteroaromatic compound oxacycle phosphoric acid ester halo-s-triazine monoalkyl phosphate secondary alcohol triazine hydrocarbon derivative 1,3,5-triazine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

Showing information for DMID02207241