Structure Database (LMSD)

Common Name
6(Z),11(E)-10-HODE
Systematic Name
10-hydroxyoctadeca-6Z,11E-dienoic acid
Synonyms
LM ID
LMFA02000444
Formula
C18H32O3
Exact Mass
Calculate m/z
296.235145
Sum Composition
FA 18:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Oxylipin Standard

String Representations

InChiKey (Click to copy)
RTFREGQDNRCUEI-BLMPOAMMSA-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/h6,9,11,14,17,19H,2-5,7-8,10,12-13,15-16H2,1H3,(H,20,21)/b9-6-,14-11+
SMILES (Click to copy)
C(CCCC/C=C\CCC(O)/C=C/CCCCCC)(=O)O

Other Databases

PubChem CID
118046756

Calculated Physicochemical Properties

Heavy Atoms 21
Rings
Aromatic Rings
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 5.14
Molar Refractivity 88.90

Admin

Created at
27th Nov 2024
Updated at
27th Nov 2024