beta-Mercaptolactate
Basic information
- CAS
2614-83-7- Standard SMILES
O=C(O)C(O)CS- InChIKey
OLQOVQTWRIJPRE-UHFFFAOYSA-N- Molecular formula
- C3H6O3S
- Average molar mass
- 122.15 g/mol
- Monoisotopic mass
- 122.00376522
Overview
B-Mercaptolactic acid is a monosaccharide.
Names & identifiers
- Preferred name
- beta-Mercaptolactate
- IUPAC
- 2-hydroxy-3-sulfanylpropanoic acid
- English name
- 2-hydroxy-3-sulfanylpropanoic acid
- Molecular formula
- C3H6O3S
- Molecular weight
- 122.14
Names & synonyms
beta-MercaptolactateRefChem:1194502-hydroxy-3-sulfanylpropanoic acidb-mercaptolactic acid2-hydroxy-3-mercaptopropanoic acid2-Hydroxy-3-mercaptopropionic acidb-Mercaptolactatess-Thiomilchsaure2-Hydroxy-3-mercaptopropanoic Acid; 3-MercaptoLactic Acid; 2-Hydroxy-3-mercaptopropanoic Acid; Hydroxycysteine; ss-Mercaptolactic Acid;starbld0042055beta-Mercaptolactic acidSCHEMBL456685
Show more names
3-Mercaptolactic acidOLQOVQTWRIJPRE-UHFFFAOYSA-N2-hydroxy-3-sulfanyl-propanoate
DTXSID908630002-hydroxy-3-sulanylpropanoic acidCHEBI:197142AKOS006375428AT43530Propanoic acid, 2-hydroxy-3-mercapto-DB-228106
Database identifiers
- CAS
2614-83-7- PubChem CID
- 160645
- DTXSID
DTXSID90863000- ChEBI
CHEBI:197142- Nikkaji
- J2.553.151E
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.6
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 58 · 58-61 °C
- Boiling point
- 325.8 · 325.8±32.0 °C(Predicted)
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 3.48 · 3.48±0.11(Predicted)
- color
- White to Off-White
- Stability
- Air Sensitive, Hygroscopic
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite PathwaysBeta-mercaptolactate-cysteine disulfiduria
Applications
Uses2-hydroxy-3-sulfanylpropanoic acid is used in the phosphorylation and acetylation of histone H2B.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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