Structure Database (LMSD)

OH O OH
Common Name
11-hydroxy-12E-octadecenoic acid
Systematic Name
11-hydroxy-12E-octadecenoic acid
Synonyms
LM ID
LMFA02000372
Formula
C18H34O3
Exact Mass
Calculate m/z
298.250795
Sum Composition
FA 18:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]

String Representations

InChiKey (Click to copy)
ONAMALXVRDKFRJ-SDNWHVSQSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
SMILES (Click to copy)
C(CCCCCCCCCC(O)/C=C/CCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Tricleocarpa jejuensis (#1381113)
Florideophyceae (#2806)
Algicidal hydroxylated C18 unsaturated fatty acids from the red alga Tricleocarpa jejuensis: Identification, synthesis and biological activity.,
Fitoterapia, 2020
Pubmed ID: 32473294

Other Databases

PubChem CID
44543288

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
21st Jul 2020
Updated at
21st Jul 2020