Structure Database (LMSD)

Common Name
12S-HOME(9Z)
Systematic Name
12S-hydroxy-9Z-octadecenoic acid
Synonyms
  • 9-Octadecenoic acid, 12-hydroxy-, [S-(Z)]-
LM ID
LMFA02000214
Status
Active
Exact Mass
Calculate m/z
298.250795
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WBHHMMIMDMUBKC-GKUQOKNUSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m0/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\C[C@@H](O)CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
4860
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 341.05
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.37
Molar Refractivity 88.99

Admin

Created at
-
Updated at
-