L-Malic Acid

L-Malic Acid bmse000238 - Data bmst000257 - Theory

L_malic_acid synonyms

L-Malate; L-Apple acid; (S)-Malate; L-2-Hydroxybutanedioic acid

Wikipedia:

Graphical representations:

L_malic_acid

View large 3D structure

Molecular Formula: C4H6O5

Natural Isotopic Abundance Mass: 134.0874400000

Mono-Isotopic Molecular Masses:

  • C12N14: 134.021523303
  • C13N14: 138.034942654
  • C12N15: 134.021523303
  • C13N15: 138.034942654

InChI string: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1

IUPAC: (2S)-2-hydroxybutanedioic acid

PubChem Compound (CID): 222656
KEGG Compound ID: C00149
CAS Registry number: 97-67-6
ChEBI: 30797
PDB Compound ID: DMR LMR MLT

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)