EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:758203 - mpc-5971

Default Structure
ChEBI IDCHEBI:758203
ChEBI Namempc-5971
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaK.K.Mg.C6H7O7.C6H7O7.C6H6O7
Net Charge0
Average Mass674.838
Monoisotopic Mass673.96216
SMILESO=C([O-])CC(O)(CC(=O)O)C(=O)O.O=C([O-])CC(O)(CC(=O)O)C(=O)O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[K+].[K+].[Mg+2]
InChIInChI=1S/3C6H8O7.2K.Mg/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;;2*+1;+2/p-4
InChIKeyYARCYODLIRKFGQ-UHFFFAOYSA-J
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
mpc-5971 (CHEBI:758203) is a hydroxy monocarboxylic acid (CHEBI:35868)
Synonym  Source
MPC-5971ChEMBL