BMRB

Biological Magnetic Resonance Data Bank


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

L-Tartaric Acid

Graphical representations:

L-Tartaric acid image

View large 3D structure

Molecular Formula: C4 H6 O6

Natural Isotopic Abundance Mass: 150.0868400000

Mono-Isotopic Molecular Masses:

  • C12N14: 150.016437925
  • C13N14: 154.029857276
  • C12N15: 150.016437925
  • C13N15: 154.029857276

InChI String: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+

isomeric and canonical SMILES: C(C(C(=O)O)O)(C(=O)O)O

IUPAC: IUPAC systematic
2,3-dihydroxybutanedioic acid

IUPAC traditional: IUPAC cas: IUPAC openeye
tartaric acid

PubChem Substance (SID):   85164990   149907   4154
PubChem Compound (CID):   875
KEGG: Compound ID   C00898
CAS Registry IDs:   1336-18-1   8014-54-8   8059-77-6   87-69-4
PDB Chemical Component   SRT   TAR   TLA
Miscellaneous Databases and IDs:   CHEBI 15671   EINECS 201-766-0   NSC 62778

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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