Metabolite Lactic acid
- Name
- Lactic acid
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 90.0779
Monoisotopic: 90.031694058 - Chemical Formula
- C3H6O3
- InChI Key
- JVTAAEKCZFNVCJ-UWTATZPHSA-N
- InChI
- InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
- IUPAC Name
- (2R)-2-hydroxypropanoic acid
- SMILES
- [H][C@](C)(O)C(O)=O
- Reactions
- Lactulose Acetic acid, Formic acid, and Lactic acid
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 108.4665215 predictedDarkChem Lite v0.1.0 [M-H]- 108.4631215 predictedDarkChem Lite v0.1.0 [M-H]- 108.8024215 predictedDarkChem Lite v0.1.0 [M-H]- 108.6972215 predictedDarkChem Lite v0.1.0 [M-H]- 114.300446 predictedDeepCCS 1.0 (2019) [M-H]- 108.4665215 predictedDarkChem Lite v0.1.0 [M-H]- 108.4631215 predictedDarkChem Lite v0.1.0 [M-H]- 108.8024215 predictedDarkChem Lite v0.1.0 [M-H]- 108.6972215 predictedDarkChem Lite v0.1.0 [M-H]- 114.300446 predictedDeepCCS 1.0 (2019) [M+H]+ 110.2740215 predictedDarkChem Lite v0.1.0 [M+H]+ 110.6893215 predictedDarkChem Lite v0.1.0 [M+H]+ 109.1337215 predictedDarkChem Lite v0.1.0 [M+H]+ 109.0833215 predictedDarkChem Lite v0.1.0 [M+H]+ 117.1008 predictedDeepCCS 1.0 (2019) [M+H]+ 110.2740215 predictedDarkChem Lite v0.1.0 [M+H]+ 110.6893215 predictedDarkChem Lite v0.1.0 [M+H]+ 109.1337215 predictedDarkChem Lite v0.1.0 [M+H]+ 109.0833215 predictedDarkChem Lite v0.1.0 [M+H]+ 117.1008 predictedDeepCCS 1.0 (2019) [M+Na]+ 108.9649215 predictedDarkChem Lite v0.1.0 [M+Na]+ 108.6472215 predictedDarkChem Lite v0.1.0 [M+Na]+ 108.9489215 predictedDarkChem Lite v0.1.0 [M+Na]+ 108.7153215 predictedDarkChem Lite v0.1.0 [M+Na]+ 125.450485 predictedDeepCCS 1.0 (2019) [M+Na]+ 108.9649215 predictedDarkChem Lite v0.1.0 [M+Na]+ 108.6472215 predictedDarkChem Lite v0.1.0 [M+Na]+ 108.9489215 predictedDarkChem Lite v0.1.0 [M+Na]+ 108.7153215 predictedDarkChem Lite v0.1.0 [M+Na]+ 125.450485 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0001311
- KEGG Compound
- C00256
- ChemSpider
- 55423
- BindingDB
- 50420196
- ChEBI
- 42111
- ChEMBL
- CHEMBL358850
- ZINC
- ZINC000004658562
- PDBe Ligand
- LAC
- Wikipedia
- Lactic_acid
- Predicted Properties
Property Value Source Water Solubility 562.0 mg/mL ALOGPS logP -0.79 ALOGPS logP -0.47 Chemaxon logS 0.79 ALOGPS pKa (Strongest Acidic) 3.78 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 57.53 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 18.84 m3·mol-1 Chemaxon Polarizability 8.05 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon