Structure Database (LMSD)

Common Name
2-Hydroxy-4-(methylthio)butanoic acid
Systematic Name
2-hydroxy-4-(methylsulfanyl)butanoic acid
Synonyms
LM ID
LMFA01050480
Formula
C5H10O3S
Exact Mass
Calculate m/z
150.035067
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
ONFOSYPQQXJWGS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
SMILES (Click to copy)
O=C(C(CCSC)O)O

Other Databases

HMDB ID
HMDB0037115
CHEBI ID
137228
PubChem CID
11427
PDB ID
H9L

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 137.30
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.76
Molar Refractivity 37.64

Admin

Created at
-
Updated at
-