Mesaconic Acid

Mesaconic Acid bmse000746 - Data bmse000761 - Data

Mesaconic_acid synonyms

Mesaconate; Kyselina mesakonova; 2-Butenedioic acid, 2-methyl-, (2E)-; trans-2-Methyl-2-butenedioic acid; 2-Methylfumarate; Fumaric acid, methyl-; 2-Butenedioic acid, 2-methyl-, (E)- (9CI); trans-1-Propene-1,2-dicarboxylic acid; 2-Butenedioic acid, 2-methyl-, (E)-; Butenedioic acid, methyl-, (E)-; Methylfumaric acid

Wikipedia:

Graphical representations:

mesaconic_acid

View large 3D structure

Molecular Formula: C5H6O4

Natural Isotopic Abundance Mass: 130.09874

Mono-Isotopic Molecular Masses:

  • C12N14: 130.026608681
  • C13N14: 135.04338287
  • C12N15: 130.026608681
  • C13N15: 135.04338287

InChI string: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+

PubChem Compound (CID): 638129
CAS Registry number: 498-24-8
MMCD: cq_01113
CAS Registry number: 498-24-8
LipidMAPS: LMFA01170116
ChemIDplus: 000498248
EINECS: 207-859-2
KEGG Compound ID: C01732
Beilstein Handbook Reference: 4-02-00-02231
NIST Chemistry WebBook: 1473579925
PDB Compound ID: MEZ

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)