DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:18:32 UTC
Update Date	2025-03-21 18:35:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00106768
Frequency	25.2
Structure
Chemical Formula	C₉H₁₃N₆O₇P
Molecular Mass	348.0583
SMILES	Nc1nnc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)n1
InChI Key	IVTMFZROVPXGPJ-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	1,2,4-triazines 1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines secondary alcohols tetrahydrofurans
Substituents	pentose phosphate pentose-5-phosphate organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol 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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