Biological Magnetic Resonance Data Bank

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

L-(+) Lactic Acid

Graphical representations:

L-(+) Lactic acid image

View large 3D structure

Molecular Formula: C3 H6 O3

Natural Isotopic Abundance Mass: 90.0779400000

Mono-Isotopic Molecular Masses:

  • C12N14: 90.0316940589
  • C13N14: 93.0417585723
  • C12N15: 90.0316940589
  • C13N15: 93.0417585723

InChI String: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1

isomeric SMILES: C[C@@H](C(=O)O)O

canonical SMILES: CC(C(=O)O)O

(2S)-2-hydroxypropanoic acid

IUPAC traditional: IUPAC cas: IUPAC openeye
lactic acid

PubChem Substance (SID):   85165024   684938   3486
PubChem Compound (CID):   107689
KEGG: Compound ID   C00186
CAS Registry IDs:   26811-96-1
PDB Chemical Component   2OP   LAC
Miscellaneous Databases and IDs:   CHEBI 422

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,