Structure Database (LMSD)

Common Name
3-hydroxy-eicosanoic acid
Systematic Name
3-hydroxy-eicosanoic acid
Synonyms
LM ID
LMFA01050074
Formula
Exact Mass
Calculate m/z
328.297745
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
XXKHCFPQYSMGCI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCCC)CCCCCCC(O)CC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0340
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 378.29
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.37
Molar Refractivity 98.32

Admin

Created at
-
Updated at
-