Structure Database (LMSD)

Common Name
11(E),15(Z)-10-HODE
Systematic Name
10-hydroxyoctadeca-11E,15Z-dienoic acid
Synonyms
LM ID
LMFA02000430
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)
VXGQTAWXMKTSEQ-DSBCBKPPSA-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/h3-4,11,14,17,19H,2,5-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,14-11+
SMILES (Click to copy)
C(CCCCCCCCC(O)/C=C/CC/C=C\CC)(=O)O

Other Databases

PubChem CID
118046579

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 5.14
Molar Refractivity 88.90

Admin

Created at
26th Nov 2024
Updated at
26th Nov 2024