DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:06 UTC
Update Date	2025-03-21 18:07:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00069588
Frequency	43.4
Structure
Chemical Formula	C₈H₁₅N₄O₁₃P₃
Molecular Mass	467.9848
SMILES	Nc1ncn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1
InChI Key	GCYYBBDIYHRTCW-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	aminotriazines azacyclic compounds halo-s-triazines heteroaromatic compounds hydrocarbon derivatives monoalkyl phosphates monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary amines secondary alcohols tetrahydrofurans triazinones
Substituents	amino-1,3,5-triazine aromatic heteromonocyclic compound pentose phosphate organic oxide organonitrogen compound organopnictogen compound organoheterocyclic compound alcohol carbonic acid derivative 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 triazinone alkyl phosphate

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