Met007425: Acetylenedicarboxylate
Metabolite Information
Name
Acetylenedicarboxylate
IUPAC Name
but-2-ynedioic acid
Molecular Formula
C4H2O4
Molecular Weight
114.06
Exact Mass
113.9953085
SMILES
C(#CC(=O)O)C(=O)O
InChIKey
YTIVTFGABIZHHX-UHFFFAOYSA-N
InChI
InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Carboxylic acids and derivatives
Subclass:
Dicarboxylic acids and derivatives
Crops containing this metabolite
s_miltiorrhiza
Metabolite Spectrum Accession Label