Structure Database (LMSD)
Common Name
9(Z),13(E)-12-HODE
Systematic Name
12-hydroxyoctadeca-9Z,13E-dienoic acid
Synonyms
3D model of 9(Z),13(E)-12-HODE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
VCGWSRUBSQIDEJ-MMFCQQQJSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,11-12,14,17,19H,2-8,10,13,15-16H2,1H3,(H,20,21)/b12-9-,14-11+
SMILES (Click to copy)
C(CCCCCCC/C=C\CC(O)/C=C/CCCC)(=O)O
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