DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:53 UTC
Update Date	2025-03-21 18:38:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122098
Frequency	21.2
Structure
Chemical Formula	C₁₀H₁₆N₅O₈P
Molecular Mass	365.0736
SMILES	Nc1nc(=O)c2c([nH]1)NCC(C(O)C(O)C(O)COP(=O)(O)O)=N2
InChI Key	UFXLLIUWFZZPFF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives ketimines monoalkyl phosphates monosaccharides organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols secondary alkylarylamines vinylogous amides
Substituents	ketimine imine monosaccharide pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound saccharide organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound alcohol vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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