Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Graphical representations:

malic_acid image

Molecular Formula: C4 H6 O5

Natural Isotopic Abundance Mass: 134.0874400000

Mono-Isotopic Molecular Masses:

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

InCHi String:

Isomeric and Canonical SMILES: C(C(C(=O)O)O)C(=O)O

IUPAC: IUPAC cas: IUPAC openeye: IUPAC systematic
2-hydroxybutanedioic acid

IUPAC traditional
2-hydroxysuccinic acid

PubChem Substance (SID):   165921   3977
PubChem Compound (CID):   525   222656   92824
KEGG: Compound ID   C00711
CAS Registry IDs:   41308-42-3   617-48-1   676-46-0   6915-15-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 6650   EINECS 230-022-8   CCRIS 6567   NSC 25941   FEMA No. 2655   EINECS 210-514-9   CCRIS 2950   FEMA Number 2655   HSDB 1202

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.