Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Malic Acid

Graphical representations:


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-/m1/s1

IUPAC: 2-hydroxybutanedioic acid

PubChem Compound (CID): 525 222656 92824
KEGG Compound ID: C00711
CAS Registry number: 41308-42-3 617-48-1 676-46-0 6915-15-7
ChEBI: 6650
EINECS: 230-022-8 210-514-9
CCRIS: 6567 2950
NSC: 25941
FEMA No.: 2655
FEMA Number: 2655
HSDB: 1202
PDB Compound ID: 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,