Structure Database (LMSD)

Common Name
10-hydroxy-9Z,12Z-octadecadienoic acid
Systematic Name
10-hydroxyoctadeca-9Z,12Z-dienoic acid
Synonyms
  • 10-hydroxyoctadeca-9Z,12Z-dienoic acid
LM ID
LMFA02000355
Formula
Exact Mass
Calculate m/z
296.235145
Sum Composition
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mortierella alpina (#64518)
Mortierellomycetes (#2212732)
Polyunsaturated fatty acids production and transformation by Mortierella alpina and anaerobic bacteria,
Eur J Lipid Sci, 2012

String Representations

InChiKey (Click to copy)
OXCUTPXSTORRTP-XYWKCAQWSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11,15,19H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+
SMILES (Click to copy)
C(/O)(=C\CCCCCCCC(O)=O)\C/C=C\CCCCC

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 338.41
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.77
Molar Refractivity 88.57

Admin

Created at
26th Jun 2019
Updated at
26th Jun 2019