Met008515: 2-Pyrimidine Acetic Acid
Metabolite Information
Name
2-Pyrimidine Acetic Acid
IUPAC Name
2-pyrimidin-2-ylacetic acid
Molecular Formula
C6H6N2O2
Molecular Weight
138.12
Exact Mass
138.0429274
SMILES
C1=CN=C(N=C1)CC(=O)O
InChIKey
NRRCYZPJUABYHL-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c9-6(10)4-5-7-2-1-3-8-5/h1-3H,4H2,(H,9,10)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Diazines
Subclass:
Pyrimidines and pyrimidine derivatives
Crops containing this metabolite
sugar_maple
Metabolite Spectrum Accession Label